Molecule ID: mol18145
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1Br)CCC(c1ccccc1)O3
InChI: InChI=1S/C20H20BrN3O2/c1-12-18(21)24-11-15(20(25)23(2)3)14-9-10-16(13-7-5-4-6-8-13)26-17(14)19(24)22-12/h4-8,11,16H,9-10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | OCHEM | 1 » 0 |
| 4.68 | Baltruschat ChEMBL | 1 » 0 |