2-[(Z)-benzylideneamino]oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Formula:C16H12N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-benzylideneamino]oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | 2-[(Z)-benzylideneamino]oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C16H12N2O2ClF3 |
| Smiles | O=C(CO/N=C\c1ccccc1)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C16H12ClF3N2O2/c17-13-7-6-12(16(18,19)20)8-14(13)22-15(23)10-24-21-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23) |
| InChIK | IUXOSCDQYIRFEZ-UHFFFAOYSA-N |
| TotalMolweight | 356.73 |
| Molweight | 356.73 |
| MonoisotopicMass | 356.053939 |
| CLogP | 4.6643 |
| CLogS | -5.107 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.63 |
| Relative PSA | 0.17999 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -5.0184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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