Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1)
CAS Number: 73384-91-5
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Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
Mn.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS
Molecular Weight
524.96
Drug-likeness
-8.1025
CAS
73384-91-5
InChI key
HFAOQLAWMAVGIV-UHFFFAOYSA-J
SMILES
Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c
ChemrytIQ
CAS Information Snapshot
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
| Property | Value |
| CAS Number | 73384-91-5 |
| Molecule Name | Benzenesulfonic acid, 4-chloro-2-[2-[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-5-methyl-, manganese(2+) salt (2:1) |
| Molecular Formula | Mn.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS.C25H19N3O6ClS |
| SMILES | Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(/N=N/c(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c1O)c1)S([O-])(=O)=O)c1Cl.Cc(cc(c(N=Nc(c1ccccc1cc1C(Nc(cccc2)c2OC)=O)c |
| InChI | InChI=1S/4C25H20ClN3O6S.Mn/c4*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h4*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;;;+2/p-4 |
| InChI Key | HFAOQLAWMAVGIV-UHFFFAOYSA-J |
| CanonicalSyTyLFy | dec27130259e909f |
| TotalMolweight | 2154.78 |
| Molecular Weight | 524.96 |
| MonoisotopicMass | 524.068309 |
| CLogP | 3.261 |
| CLogS | -6.634 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 372.01 |
| Relative PSA | 0.30505 |
| PolarSurfaceArea | 148.86 |
| Drug-likeness | -8.1025 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | azo |
| Shape Index | 0.44444 |
| Molecula Flexibility | 0.39281 |
| Molecular Complexity | 0.90322 |
| Fragments | 5 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
Related CAS
Randomized CAS records for additional exploration.
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness | ChemrytIQ |
| 1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 | ChemrytIQ |
| 100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 | ChemrytIQ |
| 100013-07-8 | none | none | none | C18H32B.Li | 259.263 | -11.013 | ChemrytIQ |
| 1000018-21-2 | none | none | none | C17H25N3O6S | 399.467 | -41.344 | ChemrytIQ |
| 1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 | ChemrytIQ |
| 100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 | ChemrytIQ |
| 1000017-97-9 | none | none | none | C10H11N3O2 | 205.216 | -1.3937 | ChemrytIQ |
| 10001-46-4 | none | none | none | C9H11N3O3 | 209.204 | 1.9565 | ChemrytIQ |
| 100004-79-3 | none | none | none | C13H11NO2 | 213.235 | -1.5864 | ChemrytIQ |
| 10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 | ChemrytIQ |
| 10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 | ChemrytIQ |
| 100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 | ChemrytIQ |
| 1000-87-9 | none | none | none | C7H12 | 96.1723 | -2.6557 | ChemrytIQ |
| 100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 | ChemrytIQ |
| 1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 | ChemrytIQ |
| 1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 | ChemrytIQ |
| 1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 | ChemrytIQ |
| 1000018-70-1 | none | none | none | C15H18N2O6 | 322.316 | -6.5762 | ChemrytIQ |
| 10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 | ChemrytIQ |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 | ChemrytIQ |
| 100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 | ChemrytIQ |
| 100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 | ChemrytIQ |
| 100008-84-2 | none | none | none | C22H14N2O2 | 338.365 | 3.1859 | ChemrytIQ |
| 10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 | ChemrytIQ |
| 100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 | ChemrytIQ |
| 100011-01-6 | none | none | none | C9H18O2 | 158.24 | -2.3462 | ChemrytIQ |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 | ChemrytIQ |
| 10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 | ChemrytIQ |
| 1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 | ChemrytIQ |
| 1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 | ChemrytIQ |
| 1000068-25-6 | none | none | none | C13H15NO4BF | 279.074 | -46.077 | ChemrytIQ |
| 1000000-13-4 | high | high | high | C21H28O12 | 472.441 | -0.17986 | ChemrytIQ |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 | ChemrytIQ |
| 100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 | ChemrytIQ |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 | ChemrytIQ |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 | ChemrytIQ |
| 1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 | ChemrytIQ |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 | ChemrytIQ |
| 1000-57-3 | high | none | low | C6H16SSn | 238.969 | -7.4261 | ChemrytIQ |
| 1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 | ChemrytIQ |
| 100027-33-6 | none | none | none | I.C21H27N2O | 323.458 | 3.6949 | ChemrytIQ |
| 100010-02-4 | none | none | none | C14H23NO | 221.343 | -6.1109 | ChemrytIQ |
| 1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 | ChemrytIQ |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 | ChemrytIQ |
| 1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 | ChemrytIQ |
| 1000339-33-2 | none | none | none | C10H11NClF | 199.655 | 0.76 | ChemrytIQ |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 | ChemrytIQ |
| 100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 | ChemrytIQ |
| 100020-94-8 | high | none | low | C12H17OCl | 212.719 | -11.962 | ChemrytIQ |
| 017257-81-7 | none | none | none | C6H10O2 | 114.143 | 0.9106 | ChemrytIQ |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 | ChemrytIQ |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 | ChemrytIQ |
| 1000-28-8 | none | none | none | C6H3OF11 | 300.067 | -44.343 | ChemrytIQ |
| 10-31-2001 | none | none | none | C21H28NO6P | 421.428 | -10.542 | ChemrytIQ |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 | ChemrytIQ |
| 100020-95-9 | high | none | low | C12H17OCl | 212.719 | -11.962 | ChemrytIQ |
| 1000017-98-0 | none | none | none | C8H4N2O2BrCl | 275.489 | -2.5326 | ChemrytIQ |
| 100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 | ChemrytIQ |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 | ChemrytIQ |
| 100-49-2 | none | none | none | C7H14O | 114.187 | -9.3679 | ChemrytIQ |