[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzoate
Formula:C21H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [3-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C21H16N2O3 |
| Smiles | O=C(c1ccccc1)N/N=C\c1cccc(OC(c2ccccc2)=O)c1 |
| InChI | InChI=1S/C21H16N2O3/c24-20(17-9-3-1-4-10-17)23-22-15-16-8-7-13-19(14-16)26-21(25)18-11-5-2-6-12-18/h1-15H,(H,23,24) |
| InChIK | GDIOHOWWHSZPMH-UHFFFAOYSA-N |
| TotalMolweight | 344.369 |
| Molweight | 344.369 |
| MonoisotopicMass | 344.116093 |
| CLogP | 4.6321 |
| CLogS | -5.191 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 274.5 |
| Relative PSA | 0.21512 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 3.9976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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