Molecule ID: mol18287
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12
InChI: InChI=1S/C22H21N3O3S/c1-14-7-6-9-17-21(14)23-18-10-5-4-8-16(18)22(17)24-19-12-11-15(13-20(19)28-2)25-29(3,26)27/h4-13,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.39 | OCHEM | 1 » 0 |
| 7.39 | Baltruschat ChEMBL | 1 » 0 |