N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(trifluoromethyl)aniline
Formula:C14H9N2ClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C14H9N2ClF4 |
| Smiles | FC(c(cccc1)c1N/N=C\c(c(F)ccc1)c1Cl)(F)F |
| InChI | InChI=1S/C14H9ClF4N2/c15-11-5-3-6-12(16)9(11)8-20-21-13-7-2-1-4-10(13)14(17,18)19/h1-8,21H |
| InChIK | HTNIGKZVVOLEGF-UHFFFAOYSA-N |
| TotalMolweight | 316.684 |
| Molweight | 316.684 |
| MonoisotopicMass | 316.039037 |
| CLogP | 6.396 |
| CLogS | -4.977 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 220.47 |
| Relative PSA | 0.10419 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(trifluoromethyl)aniline | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-(trifluoromethyl)aniline
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