| MolName | N,N'-bis[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C14H12N6O2 |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H12N6O2/c21-13(19-17-9-11-3-1-5-15-7-11)14(22)20-18-10-12-4-2-6-16-8-12/h1-10H,(H,19,21)(H,20,22) |
| InChIK | IYISFJPLSDVRQB-UHFFFAOYSA-N |
| TotalMolweight | 296.289 |
| Molweight | 296.289 |
| MonoisotopicMass | 296.102174 |
| CLogP | 0.5366 |
| CLogS | -2.528 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 238.48 |
| Relative PSA | 0.394 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | 3.3385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N,N'-bis[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N,N'-bis[(Z)-pyridin-3-ylmethylideneamino]oxamide