2,6-dichloro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C14H8N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N3O2Cl2F3 |
| Smiles | [O-][N+](c1c(/C=N\Nc(c(Cl)cc(C(F)(F)F)c2)c2Cl)cccc1)=O |
| InChI | InChI=1S/C14H8Cl2F3N3O2/c15-10-5-9(14(17,18)19)6-11(16)13(10)21-20-7-8-3-1-2-4-12(8)22(23)24/h1-7,21H |
| InChIK | AQNUXGDQSDMEBR-UHFFFAOYSA-N |
| TotalMolweight | 378.137 |
| Molweight | 378.137 |
| MonoisotopicMass | 376.994565 |
| CLogP | 5.9796 |
| CLogS | -5.859 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.21 |
| Relative PSA | 0.21085 |
| 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 | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,6-dichloro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,6-dichloro-N-[(Z)-(2-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
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