Base information
| Cat. No. | |
| CAS No. | 3625-57-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20N3O5S- |
| Molecular Weight | 414.455 |
| Exact Mass | 414.112 |
| XLogP3 | 5.1677 |
| Mr | 112.172 |
| PSA | 143.93 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)[O-].CCN(c1ccc2c(c1)[o+]c1c(n2)c2ccccc2c(c1)N)CC |
