Molecule ID: mol20662
SMILES: Cc1cc(C)c(N=C2NCCN2)c(Cl)c1
InChI: InChI=1S/C11H14ClN3/c1-7-5-8(2)10(9(12)6-7)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 |
|---|---|---|
| 9.59 | OCHEM | 1 » 0 |
| 9.59 | Baltruschat ChEMBL | 1 » 0 |
| 9.59 | Baltruschat ChEMBL | 1 » 0 |
| 9.59 | AttenGpKa training set | 1 » 0 |
| 9.59 | AttenGpKa training set | 1 » 0 |