Molecule ID: mol20426
SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCN)c2c1
InChI: InChI=1S/C20H24ClN3O/c1-25-15-7-9-18-17(13-15)20(23-11-5-3-2-4-10-22)16-8-6-14(21)12-19(16)24-18/h6-9,12-13H,2-5,10-11,22H2,1H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |