Molecule ID: mol1002
SMILES: CNc1ccc(Cl)cc1[N+](=O)[O-]
InChI: InChI=1S/C7H7ClN2O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.49 | Hunt | 1 » 0 |
| -1.43 | AttenGpKa training set | 1 » 0 |
| -1.21 | IUPAC digitized pKa | 1 » 0 |
| -1.21 | OCHEM | 1 » 0 |
| -1.20 | IUPAC digitized pKa | 1 » 0 |