N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]oxamide
Formula:C10H8N4O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]oxamide |
| MolecularFormula | C10H8N4O6 |
| Smiles | NC(C(N/N=C\c(cc1OCOc1c1)c1[N+]([O-])=O)=O)=O |
| InChI | InChI=1S/C10H8N4O6/c11-9(15)10(16)13-12-3-5-1-7-8(20-4-19-7)2-6(5)14(17)18/h1-3H,4H2,(H2,11,15)(H,13,16) |
| InChIK | YANFZOJNYUXPIY-UHFFFAOYSA-N |
| TotalMolweight | 280.196 |
| Molweight | 280.196 |
| MonoisotopicMass | 280.044386 |
| CLogP | -0.7265 |
| CLogS | -3.273 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 197.43 |
| Relative PSA | 0.58117 |
| PolarSurfaceArea | 148.83 |
| Druglikeness | -2.9803 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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