Molecule ID: mol1383
SMILES: Oc1c(Cl)ccc2cccnc12
InChI: InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 4.00 | QSARToolbox | 1 » 0 |
| 4.00 | AttenGpKa training set | 1 » 0 |
| 7.70 | QSARToolbox | 0 » -1 |
| 7.70 | AttenGpKa training set | 0 » -1 |
| 8.70 | Hunt | 0 » -1 |