Molecule ID: mol21432
SMILES: Cc1ccc2c(c1)ncn2C
InChI: InChI=1S/C9H10N2/c1-7-3-4-9-8(5-7)10-6-11(9)2/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.65 | OCHEM | 1 » 0 |
| 5.65 | Baltruschat ChEMBL | 1 » 0 |
| 5.78 | AttenGpKa training set | 1 » 0 |