3,4-dichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C14H9N2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H9N2Cl2F3 |
| Smiles | FC(c1ccc(/C=N\Nc(cc2)cc(Cl)c2Cl)cc1)(F)F |
| InChI | InChI=1S/C14H9Cl2F3N2/c15-12-6-5-11(7-13(12)16)21-20-8-9-1-3-10(4-2-9)14(17,18)19/h1-8,21H |
| InChIK | HQKZGUCYPKFXNC-UHFFFAOYSA-N |
| TotalMolweight | 333.139 |
| Molweight | 333.139 |
| MonoisotopicMass | 332.009486 |
| CLogP | 6.9012 |
| CLogS | -5.399 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 229.54 |
| Relative PSA | 0.10007 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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