| MolName | 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-phenylacetamide |
| MolecularFormula | C11H12N6O3 |
| Smiles | N/C(/c1nonc1N)=N/OCC(Nc1ccccc1)=O |
| InChI | InChI=1S/C11H12N6O3/c12-10(9-11(13)17-20-15-9)16-19-6-8(18)14-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)(H2,13,17)(H,14,18) |
| InChIK | JPBODBVQDQEFTC-UHFFFAOYSA-N |
| TotalMolweight | 276.255 |
| Molweight | 276.255 |
| MonoisotopicMass | 276.097089 |
| CLogP | 0.6034 |
| CLogS | -2.226 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 213.21 |
| Relative PSA | 0.52812 |
| PolarSurfaceArea | 141.65 |
| Druglikeness | 2.7424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-phenylacetamide | 2 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-phenylacetamide