4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]benzoic acid
Formula:C12H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C12H12N2O3 |
| Smiles | OC(c1ccc(/C=N\NC(C2CC2)=O)cc1)=O |
| InChI | InChI=1S/C12H12N2O3/c15-11(9-5-6-9)14-13-7-8-1-3-10(4-2-8)12(16)17/h1-4,7,9H,5-6H2,(H,14,15)(H,16,17) |
| InChIK | BIVAFFFFNVKRRC-UHFFFAOYSA-N |
| TotalMolweight | 232.238 |
| Molweight | 232.238 |
| MonoisotopicMass | 232.084793 |
| CLogP | 1.561 |
| CLogS | -3.08 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 177.85 |
| Relative PSA | 0.34945 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 5.4968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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