4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzoate
Formula:C21H15N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzoate |
| MolecularFormula | C21H15N2O2 |
| Smiles | [O-]C(c1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)cc1)=O |
| InChI | InChI=1S/C21H16N2O2/c24-21(25)19-13-11-16(12-14-19)15-22-23-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,24,25)/p-1 |
| InChIK | PBQFXCLLKWQBER-UHFFFAOYSA-M |
| TotalMolweight | 327.362 |
| Molweight | 327.362 |
| MonoisotopicMass | 327.113353 |
| CLogP | 3.3914 |
| CLogS | -5.921 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.79 |
| Relative PSA | 0.1894 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 1.8025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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