Molecule ID: mol548
SMILES: COC(=O)c1cc2nc([S@@+]([O-])Cc3ncccc3C)[nH]c2cc1C
InChI: InChI=1S/C17H17N3O3S/c1-10-5-4-6-18-15(10)9-24(22)17-19-13-7-11(2)12(16(21)23-3)8-14(13)20-17/h4-8H,9H2,1-3H3,(H,19,20)/t24-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Hunt | 2 » 1 |
| 8.10 | Hunt | 0 » -1 |