Molecule ID: mol21430
SMILES: Cc1ccc2ncn(C)c2c1
InChI: InChI=1S/C9H10N2/c1-7-3-4-8-9(5-7)11(2)6-10-8/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.70 | OCHEM | 1 » 0 |
| 5.70 | Baltruschat ChEMBL | 1 » 0 |
| 5.73 | AttenGpKa training set | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |