Molecule ID: mol7722
SMILES: Sc1ccc(Br)c2cccnc12
InChI: InChI=1S/C9H6BrNS/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | IUPAC digitized pKa | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |