Molecule ID: mol19319
SMILES: CC(C)(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)O
InChI: InChI=1S/C15H18N2O10/c1-15(2,8-7-10(27-17(23)24)9-25-16(21)22)14(20)26-12-6-4-3-5-11(12)13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.69 | Baltruschat ChEMBL | 0 » -1 |