| MolName | 4-amino-N'-[(3-nitrophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C10H10N6O4 |
| Smiles | N/C(/c1nonc1N)=N\OCc1cccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C10H10N6O4/c11-9(8-10(12)15-20-13-8)14-19-5-6-2-1-3-7(4-6)16(17)18/h1-4H,5H2,(H2,11,14)(H2,12,15) |
| InChIK | TVOGAWOCEBSXMF-UHFFFAOYSA-N |
| TotalMolweight | 278.227 |
| Molweight | 278.227 |
| MonoisotopicMass | 278.076354 |
| CLogP | 0.3075 |
| CLogS | -2.735 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 207.67 |
| Relative PSA | 0.57071 |
| PolarSurfaceArea | 158.37 |
| Druglikeness | -4.2476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-amino-N'-[(3-nitrophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(3-nitrophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide