| MolName | N,N'-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide |
| MolecularFormula | C18H14N4O6 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H14N4O6/c23-17(21-19-7-11-1-3-13-15(5-11)27-9-25-13)18(24)22-20-8-12-2-4-14-16(6-12)28-10-26-14/h1-8H,9-10H2,(H,21,23)(H,22,24) |
| InChIK | RQETWKWXXXICOJ-UHFFFAOYSA-N |
| TotalMolweight | 382.331 |
| Molweight | 382.331 |
| MonoisotopicMass | 382.091336 |
| CLogP | 2.7612 |
| CLogS | -5.54 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 281.48 |
| Relative PSA | 0.39797 |
| PolarSurfaceArea | 119.84 |
| Druglikeness | 3.1355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 14 |
| StereoCon |
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1 - N,N'-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide | 2 - N,N'-bis[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide