Molecule ID: mol19309
SMILES: CNC(=O)c1cc(NCc2c(C)cccc2C)c2[nH]c(C)c(Br)c2n1
InChI: InChI=1S/C19H21BrN4O/c1-10-6-5-7-11(2)13(10)9-22-14-8-15(19(25)21-4)24-18-16(20)12(3)23-17(14)18/h5-8,23H,9H2,1-4H3,(H,21,25)(H,22,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.64 | QSARToolbox | 1 » 0 |
| 7.39 | OCHEM | 1 » 0 |
| 7.39 | Baltruschat ChEMBL | 1 » 0 |