Molecule ID: mol29592
SMILES: Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChI: InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | AttenGpKa training set | 0 » -1 |
| 8.20 | AttenGpKa training set | 0 » -1 |