1-[(Z)-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylhydrazinylidene]methyl]-4-chlorobenzene
Formula:C23H18N2OCl3P
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylhydrazinylidene]methyl]-4-chlorobenzene is not a drug-like molecule.
| MolName | 1-[(Z)-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylhydrazinylidene]methyl]-4-chlorobenzene |
| MolecularFormula | C23H18N2OCl3P |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H18Cl3N2OP/c24-21-13-11-18(12-14-21)15-27-28-30(29,16-22(25)19-7-3-1-4-8-19)17-23(26)20-9-5-2-6-10-20/h1-17H,(H,28,29) |
| InChIK | ZPIHONJCLYRYJV-UHFFFAOYSA-N |
| TotalMolweight | 475.742 |
| Molweight | 475.742 |
| MonoisotopicMass | 474.022231 |
| CLogP | 6.42 |
| CLogS | -3.048 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 348.45 |
| Relative PSA | 0.11477 |
| PolarSurfaceArea | 51.27 |
| Druglikeness | -11.842 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - 1-[(Z)-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylhydrazinylidene]methyl]-4-chlorobenzene | 2 - 1-[(Z)-[bis[(Z)-2-chloro-2-phenylethenyl]phosphorylhydrazinylidene]methyl]-4-chlorobenzene
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