(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2,5-diphenylpyrazol-3-one
Formula:C26H17N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.
| MolName | (4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2,5-diphenylpyrazol-3-one |
| MolecularFormula | C26H17N2O2Cl |
| Smiles | O=C(/C1=C\c2ccc(-c(cc3)ccc3Cl)o2)N(c2ccccc2)N=C1c1ccccc1 |
| InChI | InChI=1S/C26H17ClN2O2/c27-20-13-11-18(12-14-20)24-16-15-22(31-24)17-23-25(19-7-3-1-4-8-19)28-29(26(23)30)21-9-5-2-6-10-21/h1-17H |
| InChIK | VSRAKSZJEXWQGO-UHFFFAOYSA-N |
| TotalMolweight | 424.886 |
| Molweight | 424.886 |
| MonoisotopicMass | 424.097855 |
| CLogP | 6.3317 |
| CLogS | -7.027 |
| H Acceptors | 4 |
| TotalSurfaceArea | 319.88 |
| Relative PSA | 0.13196 |
| PolarSurfaceArea | 45.81 |
| Druglikeness | 5.1133 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| StereoCon |
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