Molecule ID: mol26659
SMILES: Cc1cc(C)c2c(O)c3ccccc3nc2n1
InChI: InChI=1S/C14H12N2O/c1-8-7-9(2)15-14-12(8)13(17)10-5-3-4-6-11(10)16-14/h3-7H,1-2H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.04 | AttenGpKa training set | 2 » 1 |