(4Z)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
Formula:C16H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione |
| MolecularFormula | C16H12N2O3 |
| Smiles | O/C(/c1ccccc1)=C(/C(c1cnccc1)NC1=O)\C1=O |
| InChI | InChI=1S/C16H12N2O3/c19-14(10-5-2-1-3-6-10)12-13(18-16(21)15(12)20)11-7-4-8-17-9-11/h1-9,13,19H,(H,18,21)/t13-/m0/s1 |
| InChIK | KSHUUULQPIBVCZ-ZDUSSCGKSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 0.6853 |
| CLogS | -1.715 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.01 |
| Relative PSA | 0.29762 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | -0.26742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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