| MolName | 2-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C16H16N6O3 |
| Smiles | O=C(COCC(N/N=C\c1cnccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H16N6O3/c23-15(21-19-9-13-3-1-5-17-7-13)11-25-12-16(24)22-20-10-14-4-2-6-18-8-14/h1-10H,11-12H2,(H,21,23)(H,22,24) |
| InChIK | MNPFWGGYGVPUSU-UHFFFAOYSA-N |
| TotalMolweight | 340.342 |
| Molweight | 340.342 |
| MonoisotopicMass | 340.128389 |
| CLogP | 0.4441 |
| CLogS | -2.449 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 276 |
| Relative PSA | 0.37667 |
| PolarSurfaceArea | 117.93 |
| Druglikeness | 2.5866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide