Molecule ID: mol19313
SMILES: CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12
InChI: InChI=1S/C21H25BrN4O/c1-6-14-9-7-8-12(2)15(14)11-23-16-10-17(21(27)26(4)5)25-20-18(22)13(3)24-19(16)20/h7-10,24H,6,11H2,1-5H3,(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.84 | OCHEM | 1 » 0 |
| 5.84 | Baltruschat ChEMBL | 1 » 0 |
| 5.84 | QSARToolbox | 1 » 0 |