Base information
| Cat. No. | |
| CAS No. | 19044-88-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18N4O6S |
| Molecular Weight | 346.36 |
| Exact Mass | 346.095 |
| XLogP3 | 4.6043 |
| Mr | 88.5154 |
| PSA | 163.42 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 41 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC |
