| MolName | N-[(Z)-3-(2-benzoylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H18N4O5 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(NNC(c2ccccc2)=O)=O)\NC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C23H18N4O5/c28-21(17-7-3-1-4-8-17)24-20(15-16-11-13-19(14-12-16)27(31)32)23(30)26-25-22(29)18-9-5-2-6-10-18/h1-15H,(H,24,28)(H,25,29)(H,26,30) |
| InChIK | YDHVOIPKSXGNEA-UHFFFAOYSA-N |
| TotalMolweight | 430.419 |
| Molweight | 430.419 |
| MonoisotopicMass | 430.127721 |
| CLogP | 2.3127 |
| CLogS | -5.515 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 328.79 |
| Relative PSA | 0.31607 |
| PolarSurfaceArea | 133.12 |
| Druglikeness | -0.86239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-3-(2-benzoylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-(2-benzoylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide