N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]-2-nitrobenzohydrazide
Formula:C17H13N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]-2-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]-2-nitrobenzohydrazide |
| MolecularFormula | C17H13N3O6 |
| Smiles | [O-][N+](c(cccc1)c1C(NNC(C(/C=C(/c1ccccc1)\O)=O)=O)=O)=O |
| InChI | InChI=1S/C17H13N3O6/c21-14(11-6-2-1-3-7-11)10-15(22)17(24)19-18-16(23)12-8-4-5-9-13(12)20(25)26/h1-10,21H,(H,18,23)(H,19,24) |
| InChIK | XYCVKUPVCGCSKJ-UHFFFAOYSA-N |
| TotalMolweight | 355.305 |
| Molweight | 355.305 |
| MonoisotopicMass | 355.080437 |
| CLogP | -0.2785 |
| CLogS | -3.595 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 263.92 |
| Relative PSA | 0.39997 |
| PolarSurfaceArea | 141.32 |
| Druglikeness | -5.2172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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