Molecule ID: mol2663
SMILES: COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChI: InChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Manchester | 2 » 1 |
| 8.30 | Manchester | 1 » 0 |