Base information
| Cat. No. | |
| CAS No. | 77357-00-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7N3O4S |
| Molecular Weight | 229.213 |
| Exact Mass | 229.016 |
| XLogP3 | 1.5852 |
| Mr | 54.1605 |
| PSA | 133.34 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CNSc1ncccc1[N+](=O)[O-] |
