1-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylazepane
Formula:C22H24NOCl2P
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylazepane is not a drug-like molecule.
| MolName | 1-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylazepane |
| MolecularFormula | C22H24NOCl2P |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)N1CCCCCC1 |
| InChI | InChI=1S/C22H24Cl2NOP/c23-21(19-11-5-3-6-12-19)17-27(26,25-15-9-1-2-10-16-25)18-22(24)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2 |
| InChIK | WKLJVJHORKDLOU-UHFFFAOYSA-N |
| TotalMolweight | 420.319 |
| Molweight | 420.319 |
| MonoisotopicMass | 419.097255 |
| CLogP | 5.7453 |
| CLogS | -2.377 |
| H Acceptors | 2 |
| TotalSurfaceArea | 316.41 |
| Relative PSA | 0.065011 |
| PolarSurfaceArea | 30.12 |
| Druglikeness | -16.496 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - 1-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylazepane | 2 - 1-bis[(Z)-2-chloro-2-phenylethenyl]phosphorylazepane
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