Molecule ID: mol134
SMILES: COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChI: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | Settimo | 1 » 0 |
| 9.50 | Settimo | 1 » 0 |
| 9.70 | Baltruschat ChEMBL | 1 » 0 |
| 9.70 | AttenGpKa training set | 1 » 0 |
| 9.72 | OCHEM | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 10.00 | Baltruschat ChEMBL | 1 » 0 |