Molecule ID: mol17843
SMILES: CCN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12
InChI: InChI=1S/C25H25N5O2/c1-2-30-11-8-25(9-12-30)15-27-24(31)17-14-19(28-22(17)25)18-7-10-26-23(29-18)21-13-16-5-3-4-6-20(16)32-21/h3-7,10,13-14,28H,2,8-9,11-12,15H2,1H3,(H,27,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | OCHEM | 1 » 0 |
| 8.60 | Baltruschat ChEMBL | 1 » 0 |