Molecule ID: mol242
SMILES: Cc1cccc(C)c1NC(=O)CN
InChI: InChI=1S/C10H14N2O/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | OCHEM | 1 » 0 |
| 7.42 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Settimo | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |