N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide
Formula:C17H13N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide |
| MolecularFormula | C17H13N3O6 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H13N3O6/c21-16(19-11-2-4-13-15(6-11)26-9-24-13)17(22)20-18-7-10-1-3-12-14(5-10)25-8-23-12/h1-7H,8-9H2,(H,19,21)(H,20,22) |
| InChIK | JJAFYDTVZRIIQR-UHFFFAOYSA-N |
| TotalMolweight | 355.305 |
| Molweight | 355.305 |
| MonoisotopicMass | 355.080437 |
| CLogP | 2.3667 |
| CLogS | -4.947 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 256.72 |
| Relative PSA | 0.39152 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | 3.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide | 2 - N-(1,3-benzodioxol-5-yl)-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide
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