Molecule ID: mol88
SMILES: Cc1cccc(C)c1OCC(C)N
InChI: InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | OCHEM | 1 » 0 |
| 9.10 | AttenGpKa training set | 1 » 0 |
| 9.11 | OCHEM | 1 » 0 |
| 9.11 | Baltruschat ChEMBL | 1 » 0 |
| 9.14 | OCHEM | 1 » 0 |
| 9.14 | Settimo | 1 » 0 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | Baltruschat ChEMBL | 1 » 0 |
| 9.15 | Settimo | 1 » 0 |
| 9.15 | Settimo | 1 » 0 |
| 9.20 | Baltruschat ChEMBL | 1 » 0 |