| MolName | 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-[4-(tetrazol-1-yl)phenyl]acetamide |
| MolecularFormula | C12H12N10O3 |
| Smiles | N/C(/c1nonc1N)=N/OCC(Nc(cc1)ccc1-n1nnnc1)=O |
| InChI | InChI=1S/C12H12N10O3/c13-11(10-12(14)19-25-17-10)18-24-5-9(23)16-7-1-3-8(4-2-7)22-6-15-20-21-22/h1-4,6H,5H2,(H2,13,18)(H2,14,19)(H,16,23) |
| InChIK | ZRVRXJLPQQMUBQ-UHFFFAOYSA-N |
| TotalMolweight | 344.294 |
| Molweight | 344.294 |
| MonoisotopicMass | 344.109385 |
| CLogP | -0.498 |
| CLogS | -2.525 |
| H Acceptors | 13 |
| H Donors | 3 |
| TotalSurfaceArea | 258.45 |
| Relative PSA | 0.58959 |
| PolarSurfaceArea | 185.25 |
| Druglikeness | 2.4986 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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1 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-[4-(tetrazol-1-yl)phenyl]acetamide | 2 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-[4-(tetrazol-1-yl)phenyl]acetamide