2-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
Formula:C20H14N2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C20H14N2ClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\c(cc2)ccc2-c2ccccc2)c1Cl)(F)F |
| InChI | InChI=1S/C20H14ClF3N2/c21-18-11-10-17(20(22,23)24)12-19(18)26-25-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13,26H |
| InChIK | CMGLDRPJZROVQT-UHFFFAOYSA-N |
| TotalMolweight | 374.792 |
| Molweight | 374.792 |
| MonoisotopicMass | 374.079759 |
| CLogP | 7.9544 |
| CLogS | -6.749 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 273.88 |
| Relative PSA | 0.083869 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
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