Molecule ID: mol29727
SMILES: Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1
InChI: InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.64 | AttenGpKa training set | 0 » -1 |
| 10.20 | AttenGpKa training set | -1 » -2 |