N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide
Formula:C10H9N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide |
| MolecularFormula | C10H9N3O4 |
| Smiles | NC(C(N/N=C\c(cc1)cc2c1OCO2)=O)=O |
| InChI | InChI=1S/C10H9N3O4/c11-9(14)10(15)13-12-4-6-1-2-7-8(3-6)17-5-16-7/h1-4H,5H2,(H2,11,14)(H,13,15) |
| InChIK | OGRDZKGHZJHMHY-UHFFFAOYSA-N |
| TotalMolweight | 235.198 |
| Molweight | 235.198 |
| MonoisotopicMass | 235.059307 |
| CLogP | 0.1951 |
| CLogS | -2.813 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 173.76 |
| Relative PSA | 0.48527 |
| PolarSurfaceArea | 103.01 |
| Druglikeness | 2.1079 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]oxamide
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