Molecule ID: mol246
SMILES: Cc1cccc(C)c1NC(=O)CCN
InChI: InChI=1S/C11H16N2O/c1-8-4-3-5-9(2)11(8)13-10(14)6-7-12/h3-5H,6-7,12H2,1-2H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | Baltruschat ChEMBL | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | Settimo | 1 » 0 |
| 8.80 | AttenGpKa training set | 1 » 0 |