2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C15H8N2Cl2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-4-(trifluoromethyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C15H8N2Cl2F6 |
| Smiles | FC(c1ccc(/C=N\Nc(c(Cl)cc(C(F)(F)F)c2)c2Cl)cc1)(F)F |
| InChI | InChI=1S/C15H8Cl2F6N2/c16-11-5-10(15(21,22)23)6-12(17)13(11)25-24-7-8-1-3-9(4-2-8)14(18,19)20/h1-7,25H |
| InChIK | BRQJLDBHQBWVPD-UHFFFAOYSA-N |
| TotalMolweight | 401.137 |
| Molweight | 401.137 |
| MonoisotopicMass | 399.99687 |
| CLogP | 7.7495 |
| CLogS | -6.177 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 259 |
| Relative PSA | 0.088687 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| StereoCon |
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