Molecule ID: mol17901
SMILES: CCN[C@H]1CC[C@@H](Nc2cc[nH]c(=O)c2-c2nc3ccccc3[nH]2)CC1
InChI: InChI=1S/C20H25N5O/c1-2-21-13-7-9-14(10-8-13)23-17-11-12-22-20(26)18(17)19-24-15-5-3-4-6-16(15)25-19/h3-6,11-14,21H,2,7-10H2,1H3,(H,24,25)(H2,22,23,26)/t13-,14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.50 | Baltruschat ChEMBL | 0 » -1 |