Molecule ID: mol6813
SMILES: Cc1n[nH]c(-c2ccccc2)c1Br
InChI: InChI=1S/C10H9BrN2/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | IUPAC digitized pKa | 1 » 0 |
| 1.20 | AttenGpKa training set | 1 » 0 |
| 1.20 | AttenGpKa training set | 1 » 0 |