(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-diphenylpyrazol-3-one
Formula:C22H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.
| MolName | (4Z)-4-[(4-chlorophenyl)methylidene]-2,5-diphenylpyrazol-3-one |
| MolecularFormula | C22H15N2OCl |
| Smiles | O=C(/C1=C\c(cc2)ccc2Cl)N(c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C22H15ClN2O/c23-18-13-11-16(12-14-18)15-20-21(17-7-3-1-4-8-17)24-25(22(20)26)19-9-5-2-6-10-19/h1-15H |
| InChIK | OIDFPLAIPVZBOA-UHFFFAOYSA-N |
| TotalMolweight | 358.827 |
| Molweight | 358.827 |
| MonoisotopicMass | 358.08729 |
| CLogP | 5.3928 |
| CLogS | -5.567 |
| H Acceptors | 3 |
| TotalSurfaceArea | 270.43 |
| Relative PSA | 0.10391 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 4.2958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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