Molecule ID: mol2650
SMILES: COc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChI: InChI=1S/C25H30N4O4/c1-31-21-4-2-18-3-5-25(30)29(22(18)15-21)11-10-28-8-6-19(7-9-28)26-16-20-14-23-24(17-27-20)33-13-12-32-23/h2-5,14-15,17,19,26H,6-13,16H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Manchester | 2 » 1 |
| 8.30 | Manchester | 1 » 0 |