N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]pyridine-4-carbohydrazide
Formula:C16H13N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]pyridine-4-carbohydrazide is a drug-like molecule.
| MolName | N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]pyridine-4-carbohydrazide |
| MolecularFormula | C16H13N3O4 |
| Smiles | O/C(/c1ccccc1)=C\C(C(NNC(c1ccncc1)=O)=O)=O |
| InChI | InChI=1S/C16H13N3O4/c20-13(11-4-2-1-3-5-11)10-14(21)16(23)19-18-15(22)12-6-8-17-9-7-12/h1-10,20H,(H,18,22)(H,19,23) |
| InChIK | FLVXBGBKWZTTJE-UHFFFAOYSA-N |
| TotalMolweight | 311.296 |
| Molweight | 311.296 |
| MonoisotopicMass | 311.090607 |
| CLogP | -0.3578 |
| CLogS | -2.34 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 239.01 |
| Relative PSA | 0.36028 |
| PolarSurfaceArea | 108.39 |
| Druglikeness | -0.1219 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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