Molecule ID: mol20660
SMILES: Cc1cc(Cl)cc(C)c1N=C1NCCN1
InChI: InChI=1S/C11H14ClN3/c1-7-5-9(12)6-8(2)10(7)15-11-13-3-4-14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.25 | OCHEM | 1 » 0 |
| 10.25 | Baltruschat ChEMBL | 1 » 0 |
| 10.25 | Baltruschat ChEMBL | 1 » 0 |
| 10.25 | AttenGpKa training set | 1 » 0 |
| 10.25 | AttenGpKa training set | 1 » 0 |