Molecule ID: mol13415
SMILES: Clc1ccc(Nc2ccccc2)cc1
InChI: InChI=1S/C12H10ClN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Datawarrior | 1 » 0 |
| 0.00 | OCHEM | 1 » 0 |
| 0.13 | AttenGpKa training set | 1 » 0 |