Base information
| Cat. No. | |
| CAS No. | 27946-15-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12N4O4S |
| Molecular Weight | 248.26 |
| Exact Mass | 248.058 |
| XLogP3 | 1.6836 |
| Mr | 57.3314 |
| PSA | 157.77 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.NC(=N)NCc1ccncc1 |
