| MolName | N-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1ccco1)NNC(c1ccccc1)=O |
| InChI | InChI=1S/C21H17N3O4/c25-19(15-8-3-1-4-9-15)22-18(14-17-12-7-13-28-17)21(27)24-23-20(26)16-10-5-2-6-11-16/h1-14H,(H,22,25)(H,23,26)(H,24,27) |
| InChIK | XTUOFVRALHGQDL-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 2.423 |
| CLogS | -4.737 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 294.81 |
| Relative PSA | 0.29717 |
| PolarSurfaceArea | 100.44 |
| Druglikeness | 3.8699 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(2-benzoylhydrazinyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide