Molecule ID: mol21431
SMILES: Cc1cc2ncn(C)c2cc1C
InChI: InChI=1S/C10H12N2/c1-7-4-9-10(5-8(7)2)12(3)6-11-9/h4-6H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | Baltruschat ChEMBL | 1 » 0 |
| 6.00 | AttenGpKa training set | 1 » 0 |