Molecule ID: mol6022
SMILES: CCNc1cc(C(=O)O)c(NCC)cc1C(=O)O
InChI: InChI=1S/C12H16N2O4/c1-3-13-9-5-8(12(17)18)10(14-4-2)6-7(9)11(15)16/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | IUPAC digitized pKa | -1 » -2 |