| MolName | N-[(Z)-3-hydrazinyl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C14H13N3O2S |
| Smiles | NNC(/C(/NC(c1ccccc1)=O)=C/c1cccs1)=O |
| InChI | InChI=1S/C14H13N3O2S/c15-17-14(19)12(9-11-7-4-8-20-11)16-13(18)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,18)(H,17,19) |
| InChIK | LEOZOCAJOPAGRO-UHFFFAOYSA-N |
| TotalMolweight | 287.342 |
| Molweight | 287.342 |
| MonoisotopicMass | 287.072847 |
| CLogP | 1.4661 |
| CLogS | -3.737 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 220.61 |
| Relative PSA | 0.38362 |
| PolarSurfaceArea | 112.46 |
| Druglikeness | -1.2231 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-3-hydrazinyl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-hydrazinyl-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide