2-[(Z)-(oxamoylhydrazinylidene)methyl]benzoic acid
Formula:C10H9N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(oxamoylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-(oxamoylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C10H9N3O4 |
| Smiles | NC(C(N/N=C\c(cccc1)c1C(O)=O)=O)=O |
| InChI | InChI=1S/C10H9N3O4/c11-8(14)9(15)13-12-5-6-3-1-2-4-7(6)10(16)17/h1-5H,(H2,11,14)(H,13,15)(H,16,17) |
| InChIK | IALHLDXXDBFXPG-UHFFFAOYSA-N |
| TotalMolweight | 235.198 |
| Molweight | 235.198 |
| MonoisotopicMass | 235.059307 |
| CLogP | -0.4312 |
| CLogS | -2.115 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 177.6 |
| Relative PSA | 0.50935 |
| PolarSurfaceArea | 121.85 |
| Druglikeness | 2.0572 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(oxamoylhydrazinylidene)methyl]benzoic acid | 2 - 2-[(Z)-(oxamoylhydrazinylidene)methyl]benzoic acid
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