(4Z)-4-[(4-oxochromen-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C19H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-oxochromen-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-oxochromen-3-yl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C19H12N2O4 |
| Smiles | O=C(/C(/C1=O)=C/C2=COc(cccc3)c3C2=O)NN1c1ccccc1 |
| InChI | InChI=1S/C19H12N2O4/c22-17-12(11-25-16-9-5-4-8-14(16)17)10-15-18(23)20-21(19(15)24)13-6-2-1-3-7-13/h1-11H,(H,20,23) |
| InChIK | YVNNNUYYUPASHS-UHFFFAOYSA-N |
| TotalMolweight | 332.314 |
| Molweight | 332.314 |
| MonoisotopicMass | 332.079708 |
| CLogP | 1.0993 |
| CLogS | -3.46 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.45 |
| Relative PSA | 0.26671 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 4.1687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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