Molecule ID: mol11116
SMILES: O=c1[nH]c(Cl)cc2c1CCCC2
InChI: InChI=1S/C9H10ClNO/c10-8-5-6-3-1-2-4-7(6)9(12)11-8/h5H,1-4H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.28 | IUPAC digitized pKa | 1 » 0 |
| 8.81 | IUPAC digitized pKa | 0 » -1 |