N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)aniline
Formula:C14H9N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C14H9N3O2ClF3 |
| Smiles | [O-][N+](c(cc(/C=N\Nc1cc(C(F)(F)F)ccc1)cc1)c1Cl)=O |
| InChI | InChI=1S/C14H9ClF3N3O2/c15-12-5-4-9(6-13(12)21(22)23)8-19-20-11-3-1-2-10(7-11)14(16,17)18/h1-8,20H |
| InChIK | OPASLRRZVRAZOW-UHFFFAOYSA-N |
| TotalMolweight | 343.691 |
| Molweight | 343.691 |
| MonoisotopicMass | 343.033538 |
| CLogP | 5.3736 |
| CLogS | -5.123 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.79 |
| Relative PSA | 0.22453 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -10.294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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