Molecule ID: mol20661
SMILES: Cc1ccccc1N=C1NCCN1
InChI: InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.23 | OCHEM | 1 » 0 |
| 10.23 | Baltruschat ChEMBL | 1 » 0 |
| 10.23 | Baltruschat ChEMBL | 1 » 0 |
| 10.23 | AttenGpKa training set | 1 » 0 |
| 10.23 | AttenGpKa training set | 1 » 0 |