Molecule ID: mol688
SMILES: COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChI: InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | Hunt | 0 » -1 |