Base information
| Cat. No. | |
| CAS No. | 1391052-30-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9N3O4S |
| Molecular Weight | 246.219 |
| Exact Mass | 246.029 |
| XLogP3 | 0.0794 |
| Mr | 56.9182 |
| PSA | 132.74 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Nc1cc[15n]([13c](=O)[15n]1)[C@@H]1CS[C@@H](O1)C(=O)O |
