Molecule ID: mol18714
SMILES: COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)CC(=N)C=C2
InChI: InChI=1S/C22H21N3O3S/c1-28-22-13-16(25-29(2,26)27)9-7-14(22)11-19-17-5-3-4-6-20(17)24-21-12-15(23)8-10-18(19)21/h3-10,13,23,25H,11-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.53 | Baltruschat ChEMBL | 1 » 0 |