Molecule ID: mol17258
SMILES: COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1
InChI: InChI=1S/C24H27ClN4O4/c1-30-20-12-16-18(13-21(20)31-11-5-10-29-8-3-2-4-9-29)26-14-27-24(16)28-22-17(25)6-7-19-23(22)33-15-32-19/h6-7,12-14H,2-5,8-11,15H2,1H3,(H,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | Baltruschat ChEMBL | 1 » 0 |