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 |
| 1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 | ChemrytIQ |
| 100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 | ChemrytIQ |
| 1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 | ChemrytIQ |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 | ChemrytIQ |
| 1000-44-8 | high | high | low | C7H7Cl | 126.586 | -8.5908 | ChemrytIQ |
| 100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 | ChemrytIQ |
| 1000010-11-6 | none | none | none | C28H44N2O2 | 440.669 | -21.689 | ChemrytIQ |
| 100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 | ChemrytIQ |
| 1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 | ChemrytIQ |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 | ChemrytIQ |
| 10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 | ChemrytIQ |
| 1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 | ChemrytIQ |
| 100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 | ChemrytIQ |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 | ChemrytIQ |
| 1000160-75-7 | none | none | low | C14H17O2BS | 260.164 | -20.35 | ChemrytIQ |
| 1000339-45-6 | none | none | high | C8H14O2F2 | 180.193 | -28.199 | ChemrytIQ |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 | ChemrytIQ |
| 1000018-44-9 | none | none | none | C13H16N2O5 | 280.279 | -2.3885 | ChemrytIQ |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 | ChemrytIQ |
| 1000068-24-5 | none | none | low | C13H15NO4BCl | 295.529 | -44.638 | ChemrytIQ |
| 100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 | ChemrytIQ |
| 100019-64-5 | none | none | none | C9H10N2O7FP | 308.157 | -34.083 | ChemrytIQ |
| 100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 | ChemrytIQ |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 | ChemrytIQ |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 | ChemrytIQ |
| 100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 | ChemrytIQ |
| 100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 | ChemrytIQ |
| 100-73-2 | high | none | none | C6H8O2 | 112.128 | -6.3422 | ChemrytIQ |
| 1000269-66-8 | none | none | none | C12H20N4 | 220.319 | 0.5423 | ChemrytIQ |
| 100033-12-3 | none | none | none | C11H10N3O2Br | 296.123 | -13.354 | ChemrytIQ |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 | ChemrytIQ |
| 100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 | ChemrytIQ |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 | ChemrytIQ |
| 100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 | ChemrytIQ |
| 1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 | ChemrytIQ |
| 10-00-4 | none | none | none | C28H34O8 | 498.57 | -4.8409 | ChemrytIQ |
| 100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 | ChemrytIQ |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 | ChemrytIQ |
| 10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 | ChemrytIQ |
| 100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 | ChemrytIQ |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 | ChemrytIQ |
| 100027-27-8 | none | none | none | CH3I.C20H24N2 | 292.425 | 3.4994 | ChemrytIQ |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 | ChemrytIQ |
| 1000018-59-6 | none | none | low | C10H15O2BrS | 279.197 | -14.078 | ChemrytIQ |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 | ChemrytIQ |
| 100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 | ChemrytIQ |
| 100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 | ChemrytIQ |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 | ChemrytIQ |
| 100-57-2 | high | low | low | C6H6OHg | 294.703 | -2.3891 | ChemrytIQ |
| 1000018-26-7 | none | none | none | C16H23NO3 | 277.363 | -15.052 | ChemrytIQ |
| 1000-50-6 | none | none | high | C6H15ClSi | 150.724 | -84.768 | ChemrytIQ |
| 10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 | ChemrytIQ |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 | ChemrytIQ |
| 10-13-2009 | none | none | none | C15H14O5 | 274.271 | -1.4702 | ChemrytIQ |
| 1000-57-3 | high | none | low | C6H16SSn | 238.969 | -7.4261 | ChemrytIQ |
| 100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 | ChemrytIQ |
| 10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 | ChemrytIQ |
| 100021-05-4 | none | none | none | C21H28O2 | 312.451 | 0.95307 | ChemrytIQ |
| 1000339-25-2 | none | none | none | C14H8N2OBrF | 319.133 | -1.9975 | ChemrytIQ |
| 100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 | ChemrytIQ |