Molecule ID: mol18271
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C)ccc12
InChI: InChI=1S/C22H21N3O3S/c1-14-8-10-17-20(12-14)23-18-7-5-4-6-16(18)22(17)24-19-11-9-15(13-21(19)28-2)25-29(3,26)27/h4-13,25H,1-3H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |