Molecule ID: mol390
SMILES: CC(CN(C)C)CN1c2ccccc2Sc2ccccc21
InChI: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | Settimo | 1 » 0 |
| 8.50 | Settimo | 1 » 0 |
| 9.11 | OCHEM | 1 » 0 |
| 9.11 | Baltruschat ChEMBL | 1 » 0 |
| 9.36 | Baltruschat ChEMBL | 1 » 0 |