Base information
| Cat. No. | |
| CAS No. | 159753-14-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9N3O3S |
| Molecular Weight | 227.24 |
| Exact Mass | 227.036 |
| XLogP3 | 2.5554 |
| Mr | 61.5601 |
| PSA | 125.19 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1NC(=S)N)[N+](=O)[O-] |
