Base information
| Cat. No. | |
| CAS No. | 118175-11-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12N4O4S |
| Molecular Weight | 248.26 |
| Exact Mass | 248.058 |
| XLogP3 | 0.2364 |
| Mr | 54.8785 |
| PSA | 150.54 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC(S(=O)O)(C(C(=O)O)N)Cn1ccnn1 |
