Molecule ID: mol5077
SMILES: Clc1cc2cccnc2c2ncccc12
InChI: InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | QSARToolbox | 1 » 0 |
| 4.18 | IUPAC digitized pKa | 1 » 0 |
| 4.22 | OCHEM | 1 » 0 |
| 4.22 | Datawarrior | 1 » 0 |
| 4.24 | IUPAC digitized pKa | 1 » 0 |
| 4.26 | QSARToolbox | 1 » 0 |