| MolName | 2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide |
| MolecularFormula | C17H14N3O4Cl |
| Smiles | Nc(cccc1)c1C(NNC(C(/C=C(/c(cc1)ccc1Cl)\O)=O)=O)=O |
| InChI | InChI=1S/C17H14ClN3O4/c18-11-7-5-10(6-8-11)14(22)9-15(23)17(25)21-20-16(24)12-3-1-2-4-13(12)19/h1-9,22H,19H2,(H,20,24)(H,21,25) |
| InChIK | XEXOZIWJEHQBED-UHFFFAOYSA-N |
| TotalMolweight | 359.768 |
| Molweight | 359.768 |
| MonoisotopicMass | 359.067284 |
| CLogP | 0.5718 |
| CLogS | -3.947 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 264.19 |
| Relative PSA | 0.34222 |
| PolarSurfaceArea | 121.52 |
| Druglikeness | -0.10508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
Click to Load Molecule:
1 - 2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide | 2 - 2-amino-N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide