(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
Formula:C17H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3Z)-3-[(2-hydroxyphenyl)methylidene]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C17H13NO3 |
| Smiles | Oc1c(/C=C(/CC(N2c3ccccc3)=O)\C2=O)cccc1 |
| InChI | InChI=1S/C17H13NO3/c19-15-9-5-4-6-12(15)10-13-11-16(20)18(17(13)21)14-7-2-1-3-8-14/h1-10,19H,11H2 |
| InChIK | YZYHGQYNSDGYGV-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 2.4197 |
| CLogS | -3.4 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 210.14 |
| Relative PSA | 0.20334 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 3.2167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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