Molecule ID: mol7227
SMILES: CNc1cc(Cl)nc(N(C)C)n1
InChI: InChI=1S/C7H11ClN4/c1-9-6-4-5(8)10-7(11-6)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 |
| 4.00 | AttenGpKa training set | 1 » 0 |