N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-fluoroaniline
Formula:C22H17NOCl2FP
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-fluoroaniline is not a drug-like molecule.
| MolName | N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-fluoroaniline |
| MolecularFormula | C22H17NOCl2FP |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)Nc(cc1)ccc1F |
| InChI | InChI=1S/C22H17Cl2FNOP/c23-21(17-7-3-1-4-8-17)15-28(27,26-20-13-11-19(25)12-14-20)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,26,27) |
| InChIK | KYKVVIFMXYJRNE-UHFFFAOYSA-N |
| TotalMolweight | 432.261 |
| Molweight | 432.261 |
| MonoisotopicMass | 431.040883 |
| CLogP | 5.5964 |
| CLogS | -3.659 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 314.62 |
| Relative PSA | 0.090522 |
| PolarSurfaceArea | 38.91 |
| Druglikeness | -15.559 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-fluoroaniline | 2 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-4-fluoroaniline
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