Molecule ID: mol26335
SMILES: Cc1nc2c(=O)[nH]c(=O)[nH]c2n(Cc2ccccc2)c1=O
InChI: InChI=1S/C14H12N4O3/c1-8-13(20)18(7-9-5-3-2-4-6-9)11-10(15-8)12(19)17-14(21)16-11/h2-6H,7H2,1H3,(H2,16,17,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.67 | AttenGpKa training set | 0 » -1 |
| 13.10 | AttenGpKa training set | -1 » -2 |