Molecule ID: mol19425
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CCC(c1ccccc1)C3
InChI: InChI=1S/C21H22BrN3O/c1-13-19(22)25-12-18(21(26)24(2)3)16-10-9-15(11-17(16)20(25)23-13)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.11 | OCHEM | 1 » 0 |
| 5.11 | Baltruschat ChEMBL | 1 » 0 |