N-[(Z)-(4-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C14H9N3O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H9N3O2F4 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C14H9F4N3O2/c15-11-4-1-9(2-5-11)8-19-20-12-6-3-10(14(16,17)18)7-13(12)21(22)23/h1-8,20H |
| InChIK | KUSBPJZEYQXSET-UHFFFAOYSA-N |
| TotalMolweight | 327.236 |
| Molweight | 327.236 |
| MonoisotopicMass | 327.063089 |
| CLogP | 4.8684 |
| CLogS | -4.701 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 228.72 |
| Relative PSA | 0.23343 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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