Molecule ID: mol26685
SMILES: Nc1c2ccccc2nc2ccc(C(=O)O)cc12
InChI: InChI=1S/C14H10N2O2/c15-13-9-3-1-2-4-11(9)16-12-6-5-8(14(17)18)7-10(12)13/h1-7H,(H2,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | AttenGpKa training set | 1 » 0 |
| 9.90 | AttenGpKa training set | 0 » -1 |