N-[(Z)-benzylideneamino]-2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:C16H12N2OClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C16H12N2OClF3 |
| Smiles | O=C(CCl)N(c1cc(C(F)(F)F)ccc1)/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H12ClF3N2O/c17-10-15(23)22(21-11-12-5-2-1-3-6-12)14-8-4-7-13(9-14)16(18,19)20/h1-9,11H,10H2 |
| InChIK | PGTUSOAQOFDCGL-UHFFFAOYSA-N |
| TotalMolweight | 340.731 |
| Molweight | 340.731 |
| MonoisotopicMass | 340.059024 |
| CLogP | 4.688 |
| CLogS | -4.44 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.47 |
| Relative PSA | 0.11494 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -3.5833 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| 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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