Molecule ID: mol26310
SMILES: Cn1c(=O)c(-c2ccccc2)nc2cnc(O)nc21
InChI: InChI=1S/C13H10N4O2/c1-17-11-9(7-14-13(19)16-11)15-10(12(17)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.61 | AttenGpKa training set | 1 » 0 |
| 7.23 | AttenGpKa training set | 0 » -1 |