(2Z)-2-(benzoylhydrazinylidene)acetic acid
Formula:C9H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(benzoylhydrazinylidene)acetic acid is a drug-like molecule.
| MolName | (2Z)-2-(benzoylhydrazinylidene)acetic acid |
| MolecularFormula | C9H8N2O3 |
| Smiles | OC(/C=N\NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C9H8N2O3/c12-8(13)6-10-11-9(14)7-4-2-1-3-5-7/h1-6H,(H,11,14)(H,12,13) |
| InChIK | HWODSTRCALRJQF-UHFFFAOYSA-N |
| TotalMolweight | 192.174 |
| Molweight | 192.174 |
| MonoisotopicMass | 192.053493 |
| CLogP | 0.1706 |
| CLogS | -1.948 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 151.33 |
| Relative PSA | 0.41069 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | 4.1625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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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