Molecule ID: mol5464
SMILES: CCOC(=O)CNc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C10H12N2O4/c1-2-16-10(13)7-11-8-4-3-5-9(6-8)12(14)15/h3-6,11H,2,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.17 | IUPAC digitized pKa | 1 » 0 |
| -0.17 | AttenGpKa training set | 1 » 0 |