Molecule ID: mol7158
SMILES: CNc1ncc(Br)c(N(C)C)n1
InChI: InChI=1S/C7H11BrN4/c1-9-7-10-4-5(8)6(11-7)12(2)3/h4H,1-3H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 6.12 | AttenGpKa training set | 1 » 0 |