Molecule ID: mol6581
SMILES: Cc1nc(C)c(C)c([N+](=O)[O-])c1C
InChI: InChI=1S/C9H12N2O2/c1-5-7(3)10-8(4)6(2)9(5)11(12)13/h1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | IUPAC digitized pKa | 1 » 0 |
| 4.08 | IUPAC digitized pKa | 1 » 0 |
| 4.08 | OCHEM | 1 » 0 |
| 4.28 | IUPAC digitized pKa | 1 » 0 |