Molecule ID: mol2073
SMILES: Cc1c(N)ccc([N+](=O)[O-])c1C
InChI: InChI=1S/C8H10N2O2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | IUPAC digitized pKa | 1 » 0 |
| 1.96 | Hunt | 1 » 0 |
| 1.96 | OCHEM | 1 » 0 |
| 1.96 | OCHEM | 1 » 0 |
| 1.96 | AttenGpKa training set | 1 » 0 |
| 1.96 | QSARToolbox | 1 » 0 |