(4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
Formula:C21H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione |
| MolecularFormula | C21H15N3O3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cnccc1)N(C1=O)c2ncccc2)/C1=O |
| InChI | InChI=1S/C21H15N3O3/c25-19(14-7-2-1-3-8-14)17-18(15-9-6-11-22-13-15)24(21(27)20(17)26)16-10-4-5-12-23-16/h1-13,18,25H/t18-/m0/s1 |
| InChIK | LCWRBNOTWODFOD-SFHVURJKSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 1.7839 |
| CLogS | -2.928 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.37 |
| Relative PSA | 0.24462 |
| PolarSurfaceArea | 83.39 |
| Druglikeness | -0.58534 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-yl-5-pyridin-3-ylpyrrolidine-2,3-dione
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