Base information
| Cat. No. | |
| CAS No. | 10206-21-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13N3O6S |
| Molecular Weight | 339.324 |
| Exact Mass | 339.053 |
| XLogP3 | -0.46942 |
| Mr | 80.3125 |
| PSA | 162.1 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](C2=O)NC(=O)CC#N)C(=O)O |
