PUBCHEM_16048566
CAS Number: 4-2-7238
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CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.
Molecular Weight
195.265
Drug-likeness
-14.88
CAS
4-2-7238
InChI key
NSLDVHYVHCKVRN-UHFFFAOYSA-R
SMILES
CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1
ChemrytIQ
CAS Information Snapshot
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
| Property | Value |
| CAS Number | 4-2-7238 |
| Molecule Name | PUBCHEM_16048566 |
| Molecular Formula | Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.Hg.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe.HTe. |
| SMILES | CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.CCC[PH+](CCC)c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1.[SeH]c1ccccc1 |
| InChI | InChI=1S/4C12H19P.24C6H6Se.12C6H5Se.34Hg.16HTe/c4*1-3-10-13(11-4-2)12-8-6-5-7-9-12;36*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*5-9H,3-4,10-11H2,1-2H3;24*1-5,7H;12*1-5H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*1H/p+4 |
| InChI Key | NSLDVHYVHCKVRN-UHFFFAOYSA-R |
| CanonicalSyTyLFy | d107cb6833eb6135 |
| TotalMolweight | 15301.4 |
| Molecular Weight | 195.265 |
| MonoisotopicMass | 195.130262 |
| CLogP | 3.8439 |
| CLogS | -3.905 |
| TotalSurfaceArea | 159.57 |
| Drug-likeness | -14.88 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.61538 |
| Molecula Flexibility | 0.61412 |
| Molecular Complexity | 0.49074 |
| Fragments | 90 |
| Non HAtoms | 13 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
Related CAS
Randomized CAS records for additional exploration.
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness | ChemrytIQ |
| 1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 | ChemrytIQ |
| 100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 | ChemrytIQ |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 | ChemrytIQ |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 | ChemrytIQ |
| 10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 | ChemrytIQ |
| 1000289-40-6 | none | none | none | C7H4N2Br2S | 307.997 | -2.2608 | ChemrytIQ |
| 100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 | ChemrytIQ |
| 100-51-6 | high | high | high | C7H8O | 108.14 | -2.2456 | ChemrytIQ |
| 100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 | ChemrytIQ |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 | ChemrytIQ |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 | ChemrytIQ |
| 10001-51-1 | none | none | none | C9H18N2O | 170.255 | 5.9677 | ChemrytIQ |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 | ChemrytIQ |
| 100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 | ChemrytIQ |
| 1000018-51-8 | none | none | none | C10H10N2O2S2 | 254.333 | 1.3137 | ChemrytIQ |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 | ChemrytIQ |
| 1000-16-4 | none | none | none | C13H30NO3P | 279.359 | -34.244 | ChemrytIQ |
| 1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 | ChemrytIQ |
| 1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 | ChemrytIQ |
| 100-26-5 | none | none | none | C7H5NO4 | 167.12 | -1.5746 | ChemrytIQ |
| 100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 | ChemrytIQ |
| 100-62-9 | low | none | none | C7H7N | 105.14 | -1.1924 | ChemrytIQ |
| 1000339-32-1 | none | none | none | C11H14NF | 179.237 | 0.6275 | ChemrytIQ |
| 1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 | ChemrytIQ |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 | ChemrytIQ |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 | ChemrytIQ |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 | ChemrytIQ |
| 1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 | ChemrytIQ |
| 10-31-2001 | none | none | none | C21H28NO6P | 421.428 | -10.542 | ChemrytIQ |
| 1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 | ChemrytIQ |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 | ChemrytIQ |
| 10001-43-1 | none | none | none | C15H18N6O2 | 314.348 | 4.1828 | ChemrytIQ |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 | ChemrytIQ |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 | ChemrytIQ |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 | ChemrytIQ |
| 100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 | ChemrytIQ |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 | ChemrytIQ |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 | ChemrytIQ |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 | ChemrytIQ |
| 1000-87-9 | none | none | none | C7H12 | 96.1723 | -2.6557 | ChemrytIQ |
| 100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 | ChemrytIQ |
| 1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 | ChemrytIQ |
| 100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 | ChemrytIQ |
| 1000025-59-1 | none | none | none | C14H11O3Cl | 262.691 | -1.449 | ChemrytIQ |
| 1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 | ChemrytIQ |
| 1000-56-2 | none | none | none | C3H7O4S.Na | 139.151 | -6.9141 | ChemrytIQ |
| 100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 | ChemrytIQ |
| 100-82-3 | none | none | none | C7H8NF | 125.146 | -3.4112 | ChemrytIQ |
| 1000279-69-5 | none | none | none | C20H19N2O3ClS | 402.901 | 5.7907 | ChemrytIQ |
| 1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 | ChemrytIQ |
| 1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 | ChemrytIQ |
| 100-50-5 | none | none | high | C7H10O | 110.155 | -9.6048 | ChemrytIQ |
| 100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 | ChemrytIQ |
| 100-87-8 | none | none | none | C7H8O3S | 172.204 | -10.732 | ChemrytIQ |
| 1000339-28-5 | none | none | none | C14H8N2OBrCl | 335.588 | -0.59356 | ChemrytIQ |
| 100-85-6 | none | none | none | HO.C10H16N | 150.244 | -2.6575 | ChemrytIQ |
| 100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 | ChemrytIQ |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 | ChemrytIQ |
| 100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 | ChemrytIQ |
| 1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 | ChemrytIQ |