[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino] 2-chlorobenzoate
Formula:C15H9NO2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[4-(trifluoromethyl)phenyl]methylideneamino] 2-chlorobenzoate |
| MolecularFormula | C15H9NO2ClF3 |
| Smiles | O=C(c(cccc1)c1Cl)O/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C15H9ClF3NO2/c16-13-4-2-1-3-12(13)14(21)22-20-9-10-5-7-11(8-6-10)15(17,18)19/h1-9H |
| InChIK | DRHRFNKHNJUZDY-UHFFFAOYSA-N |
| TotalMolweight | 327.688 |
| Molweight | 327.688 |
| MonoisotopicMass | 327.02739 |
| CLogP | 5.3724 |
| CLogS | -5.285 |
| H Acceptors | 3 |
| TotalSurfaceArea | 230.41 |
| Relative PSA | 0.14995 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -10.478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(Z)-[4-(trifluoromethyl)phenyl]methylideneamino] 2-chlorobenzoate | 2 - [(Z)-[4-(trifluoromethyl)phenyl]methylideneamino] 2-chlorobenzoate
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