N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C14H8N3O2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N3O2ClF4 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C14H8ClF4N3O2/c15-10-2-1-3-11(16)9(10)7-20-21-12-5-4-8(14(17,18)19)6-13(12)22(23)24/h1-7,21H |
| InChIK | KYVAVXNLHXDIKA-UHFFFAOYSA-N |
| TotalMolweight | 361.682 |
| Molweight | 361.682 |
| MonoisotopicMass | 361.024116 |
| CLogP | 5.4744 |
| CLogS | -5.437 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.14 |
| Relative PSA | 0.21869 |
| 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 | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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