Molecule ID: mol698
SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChI: InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Hunt | 0 » -1 |