| MolName | N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[2-(1-pyridin-2-ylethenyl)hydrazinyl]prop-1-en-2-yl]benzamide |
| MolecularFormula | C23H19N5O4 |
| Smiles | C=C(c1ncccc1)NNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C23H19N5O4/c1-16(20-9-5-6-14-24-20)26-27-23(30)21(25-22(29)18-7-3-2-4-8-18)15-17-10-12-19(13-11-17)28(31)32/h2-15,26H,1H2,(H,25,29)(H,27,30) |
| InChIK | DUHIGDQUEYVURH-UHFFFAOYSA-N |
| TotalMolweight | 429.435 |
| Molweight | 429.435 |
| MonoisotopicMass | 429.143705 |
| CLogP | 1.8785 |
| CLogS | -5.069 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 332.55 |
| Relative PSA | 0.30627 |
| PolarSurfaceArea | 128.94 |
| Druglikeness | -3.4424 |
| 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 | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[2-(1-pyridin-2-ylethenyl)hydrazinyl]prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[2-(1-pyridin-2-ylethenyl)hydrazinyl]prop-1-en-2-yl]benzamide