N-[(Z)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C15H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C15H12N3O2F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12F3N3O2/c16-15(17,18)12-6-7-14(23)21(9-12)10-13(22)20-19-8-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,22) |
| InChIK | MASGFIUFWJSBKN-UHFFFAOYSA-N |
| TotalMolweight | 323.273 |
| Molweight | 323.273 |
| MonoisotopicMass | 323.088161 |
| CLogP | 1.9997 |
| CLogS | -3.472 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.21 |
| Relative PSA | 0.22268 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -1.8024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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