Base information
| Cat. No. | |
| CAS No. | 14451-99-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H18N2O6S |
| Molecular Weight | 378.4 |
| Exact Mass | 378.089 |
| XLogP3 | 2.5697 |
| Mr | 94.8875 |
| PSA | 142.64 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1CC(C)(C(=O)c2c1cccc2)S(=O)(=O)O.Cc1cc(C)[nH]c(=O)n1 |
