Molecule ID: mol18278
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N3CCOCC3)cccc12
InChI: InChI=1S/C26H26N4O5S/c1-34-23-16-17(29-36(2,32)33)10-11-22(23)28-24-18-6-3-4-9-21(18)27-25-19(24)7-5-8-20(25)26(31)30-12-14-35-15-13-30/h3-11,16,29H,12-15H2,1-2H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.03 | OCHEM | 1 » 0 |
| 6.03 | Baltruschat ChEMBL | 1 » 0 |