2-[[(2Z)-2-(phenylhydrazinylidene)acetyl]amino]benzoic acid
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[[(2Z)-2-(phenylhydrazinylidene)acetyl]amino]benzoic acid is a drug-like molecule.
| MolName | 2-[[(2Z)-2-(phenylhydrazinylidene)acetyl]amino]benzoic acid |
| MolecularFormula | C15H13N3O3 |
| Smiles | OC(c(cccc1)c1NC(/C=N\Nc1ccccc1)=O)=O |
| InChI | InChI=1S/C15H13N3O3/c19-14(10-16-18-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)15(20)21/h1-10,18H,(H,17,19)(H,20,21) |
| InChIK | JJYMOGJBZMCAQK-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 2.9574 |
| CLogS | -2.888 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 222.55 |
| Relative PSA | 0.33076 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 3.0703 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(2Z)-2-(phenylhydrazinylidene)acetyl]amino]benzoic acid | 2 - 2-[[(2Z)-2-(phenylhydrazinylidene)acetyl]amino]benzoic acid
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