Molecule ID: mol7267
SMILES: Nc1nc(N)c(-c2ccc(Cl)cc2)c(O)n1
InChI: InChI=1S/C10H9ClN4O/c11-6-3-1-5(2-4-6)7-8(12)14-10(13)15-9(7)16/h1-4H,(H5,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.06 | IUPAC digitized pKa | 1 » 0 |
| 3.06 | AttenGpKa training set | 1 » 0 |
| 10.80 | IUPAC digitized pKa | 0 » -1 |
| 10.80 | AttenGpKa training set | 0 » -1 |