3-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C14H10N2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H10N2ClF3 |
| Smiles | FC(c1ccc(/C=N\Nc2cccc(Cl)c2)cc1)(F)F |
| InChI | InChI=1S/C14H10ClF3N2/c15-12-2-1-3-13(8-12)20-19-9-10-4-6-11(7-5-10)14(16,17)18/h1-9,20H |
| InChIK | KTCOAKXRXSNPBL-UHFFFAOYSA-N |
| TotalMolweight | 298.694 |
| Molweight | 298.694 |
| MonoisotopicMass | 298.048459 |
| CLogP | 6.2952 |
| CLogS | -4.663 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 214.12 |
| Relative PSA | 0.10728 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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