N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-phenylaniline
Formula:C28H22NOCl2P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-phenylaniline is not a drug-like molecule.
| MolName | N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-phenylaniline |
| MolecularFormula | C28H22NOCl2P |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)Nc(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C28H22Cl2NOP/c29-27(24-12-6-2-7-13-24)20-33(32,21-28(30)25-14-8-3-9-15-25)31-26-18-16-23(17-19-26)22-10-4-1-5-11-22/h1-21H,(H,31,32) |
| InChIK | HKBDOVQENVNKRQ-UHFFFAOYSA-N |
| TotalMolweight | 490.369 |
| Molweight | 490.369 |
| MonoisotopicMass | 489.081605 |
| CLogP | 7.1548 |
| CLogS | -5.431 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 368.03 |
| Relative PSA | 0.077385 |
| PolarSurfaceArea | 38.91 |
| Druglikeness | -14.219 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-phenylaniline | 2 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-phenylaniline
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