Molecule ID: mol36389
SMILES: CN(C)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c(-c2nc3ccccc3[nH]2)c1
InChI: InChI=1S/C23H22N4O5S/c1-27(2)15-7-12-19(18(13-15)23-24-20-5-3-4-6-21(20)25-23)26-33(30,31)17-10-8-16(9-11-17)32-14-22(28)29/h3-13,26H,14H2,1-2H3,(H,24,25)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | QSARToolbox | -1 » -2 |