N-[(Z)-benzylideneamino]-3-(trifluoromethyl)aniline
Formula:C14H11N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C14H11N2F3 |
| Smiles | FC(c1cc(N/N=C\c2ccccc2)ccc1)(F)F |
| InChI | InChI=1S/C14H11F3N2/c15-14(16,17)12-7-4-8-13(9-12)19-18-10-11-5-2-1-3-6-11/h1-10,19H |
| InChIK | YGQMRHVBSZEJBJ-UHFFFAOYSA-N |
| TotalMolweight | 264.249 |
| Molweight | 264.249 |
| MonoisotopicMass | 264.087432 |
| CLogP | 5.6892 |
| CLogS | -3.927 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.7 |
| Relative PSA | 0.1156 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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