Base information
| Cat. No. | |
| CAS No. | 7436-62-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N3O3S |
| Molecular Weight | 331.389 |
| Exact Mass | 331.099 |
| XLogP3 | 4.0905 |
| Mr | 93.9761 |
| PSA | 126.24 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CSCc1ccccc1 |
