(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione
Formula:C22H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione |
| MolecularFormula | C22H16N2O3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(C1=O)c2ncccc2)/C1=O |
| InChI | InChI=1S/C22H16N2O3/c25-20(16-11-5-2-6-12-16)18-19(15-9-3-1-4-10-15)24(22(27)21(18)26)17-13-7-8-14-23-17/h1-14,19,25H/t19-/m0/s1 |
| InChIK | LPNOVPXEGACXHW-IBGZPJMESA-N |
| TotalMolweight | 356.38 |
| Molweight | 356.38 |
| MonoisotopicMass | 356.116093 |
| CLogP | 2.7848 |
| CLogS | -3.723 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.61 |
| Relative PSA | 0.20218 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -0.58534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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