| MolName | 2-amino-N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide |
| MolecularFormula | C17H15N3O4 |
| Smiles | Nc(cccc1)c1C(NNC(C(/C=C(/c1ccccc1)\O)=O)=O)=O |
| InChI | InChI=1S/C17H15N3O4/c18-13-9-5-4-8-12(13)16(23)19-20-17(24)15(22)10-14(21)11-6-2-1-3-7-11/h1-10,21H,18H2,(H,19,23)(H,20,24) |
| InChIK | WMHVHIUIWIFMNI-UHFFFAOYSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | -0.0342 |
| CLogS | -3.211 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 248.77 |
| Relative PSA | 0.36343 |
| PolarSurfaceArea | 121.52 |
| Druglikeness | -0.1504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide | 2 - 2-amino-N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide