Molecule ID: mol20657
SMILES: Cc1cc(C)c(N=C2NCCN2)c(C)c1
InChI: InChI=1S/C12H17N3/c1-8-6-9(2)11(10(3)7-8)15-12-13-4-5-14-12/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.78 | OCHEM | 1 » 0 |
| 10.78 | Baltruschat ChEMBL | 1 » 0 |
| 10.78 | Baltruschat ChEMBL | 1 » 0 |
| 10.78 | AttenGpKa training set | 1 » 0 |
| 10.78 | AttenGpKa training set | 1 » 0 |