2-chloro-N-[(Z)-(2-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
Formula:C15H12N2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(2-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(2-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C15H12N2ClF3 |
| Smiles | Cc1c(/C=N\Nc(cc(C(F)(F)F)cc2)c2Cl)cccc1 |
| InChI | InChI=1S/C15H12ClF3N2/c1-10-4-2-3-5-11(10)9-20-21-14-8-12(15(17,18)19)6-7-13(14)16/h2-9,21H,1H3 |
| InChIK | GZJLSEGZNOYFTC-UHFFFAOYSA-N |
| TotalMolweight | 312.721 |
| Molweight | 312.721 |
| MonoisotopicMass | 312.064109 |
| CLogP | 6.6391 |
| CLogS | -5.007 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 226.38 |
| Relative PSA | 0.10147 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.9794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-(2-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(Z)-(2-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
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