Molecule ID: mol17905
SMILES: COCCN[C@H]1CC[C@@H](Nc2cc[nH]c(=O)c2-c2nc3ccccc3[nH]2)CC1
InChI: InChI=1S/C21H27N5O2/c1-28-13-12-22-14-6-8-15(9-7-14)24-18-10-11-23-21(27)19(18)20-25-16-4-2-3-5-17(16)26-20/h2-5,10-11,14-15,22H,6-9,12-13H2,1H3,(H,25,26)(H2,23,24,27)/t14-,15+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 2 » 1 |