Molecule ID: mol619
SMILES: CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
InChI: InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.24 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Hunt | 1 » 0 |