4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
Formula:C23H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C23H18N4O2 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C23H18N4O2/c28-23(29)18-11-13-20(14-12-18)25-24-15-19-16-27(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-16,25H,(H,28,29) |
| InChIK | FYKLOPGQQGTXOS-UHFFFAOYSA-N |
| TotalMolweight | 382.422 |
| Molweight | 382.422 |
| MonoisotopicMass | 382.142976 |
| CLogP | 5.245 |
| CLogS | -4.675 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.82 |
| Relative PSA | 0.22256 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 3.7065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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