Molecule ID: mol5997
SMILES: CN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C13H10BrN3O4/c1-15(10-4-2-9(14)3-5-10)12-7-6-11(16(18)19)8-13(12)17(20)21/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.93 | AttenGpKa training set | 1 » 0 |