Molecule ID: mol19400
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCCC(N)=O)ccc12
InChI: InChI=1S/C25H26N4O5S/c1-33-23-14-16(29-35(2,31)32)9-12-21(23)28-25-18-6-3-4-7-20(18)27-22-15-17(10-11-19(22)25)34-13-5-8-24(26)30/h3-4,6-7,9-12,14-15,29H,5,8,13H2,1-2H3,(H2,26,30)(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.36 | Baltruschat ChEMBL | 1 » 0 |