4-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate
Formula:C18H13N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C18H13N4O3 |
| Smiles | [O-]C(c1ccc(/C=N\NC(c2cc(-c3ccccc3)n[nH]2)=O)cc1)=O |
| InChI | InChI=1S/C18H14N4O3/c23-17(16-10-15(20-21-16)13-4-2-1-3-5-13)22-19-11-12-6-8-14(9-7-12)18(24)25/h1-11H,(H,20,21)(H,22,23)(H,24,25)/p-1 |
| InChIK | BWWAJVJUMGBWRU-UHFFFAOYSA-M |
| TotalMolweight | 333.326 |
| Molweight | 333.326 |
| MonoisotopicMass | 333.098766 |
| CLogP | 0.3085 |
| CLogS | -4.109 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 260.36 |
| Relative PSA | 0.33911 |
| PolarSurfaceArea | 110.27 |
| Druglikeness | 5.6618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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