Molecule ID: mol2688
SMILES: COc1ccc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1
InChI: InChI=1S/C24H29N5O4/c1-31-22-4-2-17-3-5-23(30)29(24(17)27-22)11-10-28-8-6-18(7-9-28)25-15-19-14-20-21(16-26-19)33-13-12-32-20/h2-5,14,16,18,25H,6-13,15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | Manchester | 2 » 1 |
| 8.40 | Manchester | 1 » 0 |