Molecule ID: mol18353
SMILES: CC(=O)Nc1ccc2nc(SCCN(C)C)ccc2c1
InChI: InChI=1S/C15H19N3OS/c1-11(19)16-13-5-6-14-12(10-13)4-7-15(17-14)20-9-8-18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.33 | OCHEM | 2 » 1 |
| 4.33 | Baltruschat ChEMBL | 2 » 1 |
| 11.55 | OCHEM | 0 » -1 |
| 11.55 | Baltruschat ChEMBL | 0 » -1 |