Base information
| Cat. No. | |
| CAS No. | 3459-20-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14N3NaO4S |
| Molecular Weight | 331.323 |
| Exact Mass | 331.06 |
| XLogP3 | 2.2422 |
| Mr | 75.374 |
| PSA | 90 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COCCOc1cnc(nc1)N(S(=O)(=O)c1ccccc1)[Na] |
