Molecule ID: mol17918
SMILES: Cc1ccc(Cl)cc1N=C1NCCN1
InChI: InChI=1S/C10H12ClN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | OCHEM | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | AttenGpKa training set | 1 » 0 |
| 9.50 | AttenGpKa training set | 1 » 0 |