3,4-dichloro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]aniline
Formula:C14H9N2OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H9N2OCl2F3 |
| Smiles | FC(Oc1c(/C=N\Nc(cc2)cc(Cl)c2Cl)cccc1)(F)F |
| InChI | InChI=1S/C14H9Cl2F3N2O/c15-11-6-5-10(7-12(11)16)21-20-8-9-3-1-2-4-13(9)22-14(17,18)19/h1-8,21H |
| InChIK | OWSAVZITNWJEKQ-UHFFFAOYSA-N |
| TotalMolweight | 349.138 |
| Molweight | 349.138 |
| MonoisotopicMass | 348.004401 |
| CLogP | 7.1519 |
| CLogS | -5.644 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.54 |
| Relative PSA | 0.13764 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.9608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]aniline | 2 - 3,4-dichloro-N-[(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino]aniline
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