Base information
| Cat. No. | |
| CAS No. | 79226-66-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H13N5O6S2 |
| Molecular Weight | 399.402 |
| Exact Mass | 399.031 |
| XLogP3 | 0.2354 |
| Mr | 94.8774 |
| PSA | 211.73 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=CCS2=O)C(=O)O |
