2-[(Z)-(benzoylhydrazinylidene)methyl]benzoate
Formula:C15H11N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzoylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-(benzoylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C15H11N2O3 |
| Smiles | [O-]C(c1c(/C=N\NC(c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C15H12N2O3/c18-14(11-6-2-1-3-7-11)17-16-10-12-8-4-5-9-13(12)15(19)20/h1-10H,(H,17,18)(H,19,20)/p-1 |
| InChIK | WMGNXSHCBFOLDJ-UHFFFAOYSA-M |
| TotalMolweight | 267.263 |
| Molweight | 267.263 |
| MonoisotopicMass | 267.076968 |
| CLogP | 0.6107 |
| CLogS | -3.734 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.27 |
| Relative PSA | 0.29835 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 4.4358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(benzoylhydrazinylidene)methyl]benzoate | 2 - 2-[(Z)-(benzoylhydrazinylidene)methyl]benzoate
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