N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,3,4-trifluoroaniline
Formula:C22H15NOCl2F3P
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,3,4-trifluoroaniline is not a drug-like molecule.
| MolName | N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,3,4-trifluoroaniline |
| MolecularFormula | C22H15NOCl2F3P |
| Smiles | O=P(/C=C(/c1ccccc1)\Cl)(/C=C(/c1ccccc1)\Cl)Nc(ccc(F)c1F)c1F |
| InChI | InChI=1S/C22H15Cl2F3NOP/c23-17(15-7-3-1-4-8-15)13-30(29,14-18(24)16-9-5-2-6-10-16)28-20-12-11-19(25)21(26)22(20)27/h1-14H,(H,28,29) |
| InChIK | TUWDIIOLSVNWHM-UHFFFAOYSA-N |
| TotalMolweight | 468.241 |
| Molweight | 468.241 |
| MonoisotopicMass | 467.022039 |
| CLogP | 5.798 |
| CLogS | -4.287 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 327.32 |
| Relative PSA | 0.08701 |
| PolarSurfaceArea | 38.91 |
| Druglikeness | -15.559 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; polyhalo aromatic ring |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,3,4-trifluoroaniline | 2 - N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,3,4-trifluoroaniline
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