Molecule ID: mol7228
SMILES: CNc1nc(Cl)cc(N(C)C)n1
InChI: InChI=1S/C7H11ClN4/c1-9-7-10-5(8)4-6(11-7)12(2)3/h4H,1-3H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 4.03 | AttenGpKa training set | 1 » 0 |