| MolName | N'-[(E)-3-oxo-3-phenylprop-1-enyl]pyridine-4-carbohydrazide |
| MolecularFormula | C15H13N3O2 |
| Smiles | O=C(/C=C/NNC(c1ccncc1)=O)c1ccccc1 |
| InChI | InChI=1S/C15H13N3O2/c19-14(12-4-2-1-3-5-12)8-11-17-18-15(20)13-6-9-16-10-7-13/h1-11,17H,(H,18,20) |
| InChIK | KCWGJGAZCIHFQI-UHFFFAOYSA-N |
| TotalMolweight | 267.287 |
| Molweight | 267.287 |
| MonoisotopicMass | 267.100777 |
| CLogP | 0.2841 |
| CLogS | -3.173 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 216.7 |
| Relative PSA | 0.27674 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 2.6542 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(E)-3-oxo-3-phenylprop-1-enyl]pyridine-4-carbohydrazide | 2 - N'-[(E)-3-oxo-3-phenylprop-1-enyl]pyridine-4-carbohydrazide