N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide
Formula:C17H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide is a drug-like molecule.
| MolName | N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]benzohydrazide |
| MolecularFormula | C17H14N2O4 |
| Smiles | O/C(/c1ccccc1)=C\C(C(NNC(c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C17H14N2O4/c20-14(12-7-3-1-4-8-12)11-15(21)17(23)19-18-16(22)13-9-5-2-6-10-13/h1-11,20H,(H,18,22)(H,19,23) |
| InChIK | ITLWLZXCJOTNDS-UHFFFAOYSA-N |
| TotalMolweight | 310.308 |
| Molweight | 310.308 |
| MonoisotopicMass | 310.095358 |
| CLogP | 0.6431 |
| CLogS | -3.135 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 240.25 |
| Relative PSA | 0.31276 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | -0.1219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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