Base information
| Cat. No. | |
| CAS No. | 68-89-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N3NaO4S |
| Molecular Weight | 333.339 |
| Exact Mass | 333.076 |
| XLogP3 | 1.5041 |
| Mr | 79.1484 |
| PSA | 95.75 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)[O-].[Na+] |
