Molecule ID: mol21352
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2c(C)cccc12
InChI: InChI=1S/C22H22N4O3S/c1-13-5-4-6-17-21(13)25-19-11-14(23)7-9-16(19)22(17)24-18-10-8-15(12-20(18)29-2)26-30(3,27)28/h4-12,26H,23H2,1-3H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.88 | Baltruschat ChEMBL | 0 » -1 |