2,6-dichloro-N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C14H8N2Cl3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dichloro-N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H8N2Cl3F3 |
| Smiles | FC(c(cc1Cl)cc(Cl)c1N/N=C\c(cccc1)c1Cl)(F)F |
| InChI | InChI=1S/C14H8Cl3F3N2/c15-10-4-2-1-3-8(10)7-21-22-13-11(16)5-9(6-12(13)17)14(18,19)20/h1-7,22H |
| InChIK | LSVYFVRVMSLRQE-UHFFFAOYSA-N |
| TotalMolweight | 367.585 |
| Molweight | 367.585 |
| MonoisotopicMass | 365.970513 |
| CLogP | 7.5072 |
| CLogS | -6.135 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 244.96 |
| Relative PSA | 0.09377 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,6-dichloro-N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(trifluoromethyl)aniline
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