2,6-dichloro-N-[(Z)-(3-chloro-4-fluorophenyl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C14H7N2Cl3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-N-[(Z)-(3-chloro-4-fluorophenyl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-(3-chloro-4-fluorophenyl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H7N2Cl3F4 |
| Smiles | FC(c(cc1Cl)cc(Cl)c1N/N=C\c(cc1)cc(Cl)c1F)(F)F |
| InChI | InChI=1S/C14H7Cl3F4N2/c15-9-3-7(1-2-12(9)18)6-22-23-13-10(16)4-8(5-11(13)17)14(19,20)21/h1-6,23H |
| InChIK | GTNIBGWRWSCCEQ-UHFFFAOYSA-N |
| TotalMolweight | 385.575 |
| Molweight | 385.575 |
| MonoisotopicMass | 383.961091 |
| CLogP | 7.608 |
| CLogS | -6.449 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 251.31 |
| Relative PSA | 0.091401 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2,6-dichloro-N-[(Z)-(3-chloro-4-fluorophenyl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,6-dichloro-N-[(Z)-(3-chloro-4-fluorophenyl)methylideneamino]-4-(trifluoromethyl)aniline
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