1-[(2E)-2-hydroxyimino-2-phenylethyl]pyridin-2-one
Formula:C13H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(2E)-2-hydroxyimino-2-phenylethyl]pyridin-2-one is a drug-like molecule.
| MolName | 1-[(2E)-2-hydroxyimino-2-phenylethyl]pyridin-2-one |
| MolecularFormula | C13H12N2O2 |
| Smiles | O/N=C(/CN(C=CC=C1)C1=O)\c1ccccc1 |
| InChI | InChI=1S/C13H12N2O2/c16-13-8-4-5-9-15(13)10-12(14-17)11-6-2-1-3-7-11/h1-9,17H,10H2 |
| InChIK | NEBICYDVBPHIOZ-UHFFFAOYSA-N |
| TotalMolweight | 228.25 |
| Molweight | 228.25 |
| MonoisotopicMass | 228.089878 |
| CLogP | 1.4696 |
| CLogS | -2.732 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 183.89 |
| Relative PSA | 0.22405 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 2.2883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 1-[(2E)-2-hydroxyimino-2-phenylethyl]pyridin-2-one | 2 - 1-[(2E)-2-hydroxyimino-2-phenylethyl]pyridin-2-one
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