Molecule ID: mol3366
SMILES: Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1
InChI: InChI=1S/C7H7N3O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.57 | QSARToolbox | 1 » 0 |
| -4.51 | OCHEM | 1 » 0 |
| -4.51 | OCHEM | 1 » 0 |
| -4.44 | QSARToolbox | 1 » 0 |
| -4.44 | IUPAC digitized pKa | 1 » 0 |
| -4.24 | AttenGpKa training set | 1 » 0 |
| -4.04 | IUPAC digitized pKa | 1 » 0 |
| -3.96 | QSARToolbox | 1 » 0 |
| -3.96 | IUPAC digitized pKa | 1 » 0 |