N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
Formula:C16H7N2Cl2F9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline |
| MolecularFormula | C16H7N2Cl2F9 |
| Smiles | FC(c1cc(/C=N\Nc(c(Cl)cc(C(F)(F)F)c2)c2Cl)cc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C16H7Cl2F9N2/c17-11-4-10(16(25,26)27)5-12(18)13(11)29-28-6-7-1-8(14(19,20)21)3-9(2-7)15(22,23)24/h1-6,29H |
| InChIK | MHXYQSMBCIMPJS-UHFFFAOYSA-N |
| TotalMolweight | 469.134 |
| Molweight | 469.134 |
| MonoisotopicMass | 467.984254 |
| CLogP | 8.5978 |
| CLogS | -6.955 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 288.46 |
| Relative PSA | 0.07963 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 13 |
| StereoCon |
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1 - N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
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