4-[(Z)-(formylhydrazinylidene)methyl]benzoate
Formula:C9H7N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-[(Z)-(formylhydrazinylidene)methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-(formylhydrazinylidene)methyl]benzoate |
| MolecularFormula | C9H7N2O3 |
| Smiles | [O-]C(c1ccc(/C=N\NC=O)cc1)=O |
| InChI | InChI=1S/C9H8N2O3/c12-6-11-10-5-7-1-3-8(4-2-7)9(13)14/h1-6H,(H,11,12)(H,13,14)/p-1 |
| InChIK | JOVAJULBSSFETG-UHFFFAOYSA-M |
| TotalMolweight | 191.166 |
| Molweight | 191.166 |
| MonoisotopicMass | 191.045668 |
| CLogP | -1.2039 |
| CLogS | -2.733 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 154.3 |
| Relative PSA | 0.41043 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 2.2321 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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