Molecule ID: mol20658
SMILES: Clc1ccccc1N=C1NCCN1
InChI: InChI=1S/C9H10ClN3/c10-7-3-1-2-4-8(7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | Baltruschat ChEMBL | 1 » 0 |
| 9.15 | Baltruschat ChEMBL | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |