Molecule ID: mol1935
SMILES: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
InChI: InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Hunt | 0 » -1 |