Molecule ID: mol1548
SMILES: CN(C)Cc1cccc([N+](=O)[O-])c1
InChI: InChI=1S/C9H12N2O2/c1-10(2)7-8-4-3-5-9(6-8)11(12)13/h3-6H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | AttenGpKa training set | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | Hunt | 1 » 0 |