Molecule ID: mol1033
SMILES: CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C8H9N3O4/c1-9(2)7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.00 | IUPAC digitized pKa | 1 » 0 |
| -1.00 | OCHEM | 1 » 0 |
| -1.00 | Hunt | 1 » 0 |
| -1.00 | QSARToolbox | 1 » 0 |
| -1.00 | AttenGpKa training set | 1 » 0 |