Molecule ID: mol154
SMILES: COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
InChI: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.15 | AttenGpKa training set | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.19 | Baltruschat ChEMBL | 1 » 0 |
| 9.19 | Settimo | 1 » 0 |
| 9.19 | Settimo | 1 » 0 |
| 9.20 | Baltruschat ChEMBL | 1 » 0 |