(4Z)-4-[(3-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C16H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(3-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[(3-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C16H12N2O3 |
| Smiles | Oc1cccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1 |
| InChI | InChI=1S/C16H12N2O3/c19-13-8-4-5-11(9-13)10-14-15(20)17-18(16(14)21)12-6-2-1-3-7-12/h1-10,19H,(H,17,20) |
| InChIK | JFXARNDAJHAFJH-UHFFFAOYSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 0.9979 |
| CLogS | -2.594 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.84 |
| Relative PSA | 0.26073 |
| PolarSurfaceArea | 69.64 |
| Druglikeness | 4.0931 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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