Molecule ID: mol6052
SMILES: COC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H8N2O4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.61 | AttenGpKa training set | 1 » 0 |
| -2.61 | QSARToolbox | 1 » 0 |
| -2.59 | OCHEM | 1 » 0 |
| -2.57 | QSARToolbox | 1 » 0 |