Molecule ID: mol375
SMILES: Nc1cc(-c2ccccc2)nc2ccc(Br)cc12
InChI: InChI=1S/C15H11BrN2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H2,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | AvLiLuMoVe | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |