Molecule ID: mol29642
SMILES: COc1nc(C)nc(Cl)c1NC1=NCCN1
InChI: InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.36 | OCHEM | 1 » 0 |
| 7.54 | AttenGpKa training set | 1 » 0 |