Molecule ID: mol29822
SMILES: O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Br
InChI: InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | AttenGpKa training set | 0 » -1 |