(4Z)-4-[(4-fluorophenyl)methylidene]-2-phenylpyrazol-3-one
Formula:C16H11N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-fluorophenyl)methylidene]-2-phenylpyrazol-3-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-fluorophenyl)methylidene]-2-phenylpyrazol-3-one |
| MolecularFormula | C16H11N2OF |
| Smiles | O=C1N(c2ccccc2)N=C/C1=C/c(cc1)ccc1F |
| InChI | InChI=1S/C16H11FN2O/c17-14-8-6-12(7-9-14)10-13-11-18-19(16(13)20)15-4-2-1-3-5-15/h1-11H |
| InChIK | HUVHEDGVUAMIBW-UHFFFAOYSA-N |
| TotalMolweight | 266.274 |
| Molweight | 266.274 |
| MonoisotopicMass | 266.085541 |
| CLogP | 3.4058 |
| CLogS | -3.537 |
| H Acceptors | 3 |
| TotalSurfaceArea | 203.39 |
| Relative PSA | 0.13816 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.5498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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