Molecule ID: mol8369
SMILES: COc1ccc2nc3cc(Cl)ccc3c(N)c2c1
InChI: InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | AttenGpKa training set | 1 » 0 |
| 8.94 | IUPAC digitized pKa | 1 » 0 |
| 8.94 | OCHEM | 1 » 0 |