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 |
| 1000-68-6 | none | none | none | C3H9NO3S2 | 171.24 | -3.0843 | ChemrytIQ |
| 1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 | ChemrytIQ |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 | ChemrytIQ |
| 100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 | ChemrytIQ |
| 100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 | ChemrytIQ |
| 100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 | ChemrytIQ |
| 100018-96-0 | high | high | none | C20H39O2I | 438.428 | -31.232 | ChemrytIQ |
| 100009-92-5 | none | none | none | C20H23NO4 | 341.406 | 4.6216 | ChemrytIQ |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 | ChemrytIQ |
| 1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 | ChemrytIQ |
| 100-13-0 | none | none | low | C8H7NO2 | 149.149 | -10.212 | ChemrytIQ |
| 100022-13-7 | none | none | none | HCl.C20H21NO4 | 339.39 | 2.3133 | ChemrytIQ |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 | ChemrytIQ |
| 1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 | ChemrytIQ |
| 100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 | ChemrytIQ |
| 10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 | ChemrytIQ |
| 100033-12-3 | none | none | none | C11H10N3O2Br | 296.123 | -13.354 | ChemrytIQ |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 | ChemrytIQ |
| 1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 | ChemrytIQ |
| 1000269-65-7 | none | none | none | C12H19N3 | 205.304 | 0.25629 | ChemrytIQ |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 | ChemrytIQ |
| 100008-84-2 | none | none | none | C22H14N2O2 | 338.365 | 3.1859 | ChemrytIQ |
| 1000339-54-7 | none | none | none | C9H7O2F3 | 204.147 | -11.176 | ChemrytIQ |
| 1000068-42-7 | none | none | none | C10H11NO3BrFS | 324.169 | -2.2263 | ChemrytIQ |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 | ChemrytIQ |
| 100-66-3 | high | none | high | C7H8O | 108.14 | -2.0846 | ChemrytIQ |
| 100-06-1 | none | none | none | C9H10O2 | 150.176 | -1.6836 | ChemrytIQ |
| 100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 | ChemrytIQ |
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 | ChemrytIQ |
| 1000339-36-5 | none | none | none | C16H19NO3S | 305.397 | -3.4866 | ChemrytIQ |
| 100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 | ChemrytIQ |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 | ChemrytIQ |
| 100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 | ChemrytIQ |
| 100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 | ChemrytIQ |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 | ChemrytIQ |
| 100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 | ChemrytIQ |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 | ChemrytIQ |
| 1000017-97-9 | none | none | none | C10H11N3O2 | 205.216 | -1.3937 | ChemrytIQ |
| 10001-43-1 | none | none | none | C15H18N6O2 | 314.348 | 4.1828 | ChemrytIQ |
| 1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 | ChemrytIQ |
| 1000-86-8 | none | none | none | C7H12 | 96.1723 | -10.397 | ChemrytIQ |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 | ChemrytIQ |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 | ChemrytIQ |
| 1000279-69-5 | none | none | none | C20H19N2O3ClS | 402.901 | 5.7907 | ChemrytIQ |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 | ChemrytIQ |
| 1000-91-5 | none | none | high | C5H14OSi | 118.251 | -35.679 | ChemrytIQ |
| 10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 | ChemrytIQ |
| 100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 | ChemrytIQ |
| 100-07-2 | high | high | low | C8H7O2Cl | 170.595 | -10.49 | ChemrytIQ |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 | ChemrytIQ |
| 1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 | ChemrytIQ |
| 100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 | ChemrytIQ |
| 100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 | ChemrytIQ |
| 1000339-26-3 | none | none | none | C14H7N2OBrCl2 | 370.033 | -0.59356 | ChemrytIQ |
| 1000018-40-5 | low | high | none | C11H16N2O2S | 240.326 | 1.4856 | ChemrytIQ |
| 1000018-70-1 | none | none | none | C15H18N2O6 | 322.316 | -6.5762 | ChemrytIQ |
| 100027-90-5 | high | high | none | C20H26N2Cl2.HCl.HCl | 365.346 | 4.1664 | ChemrytIQ |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 | ChemrytIQ |
| 100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 | ChemrytIQ |
| 1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 | ChemrytIQ |