Molecule ID: mol20432
SMILES: NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
InChI: InChI=1S/C22H26ClN3/c23-17-6-1-4-16(12-17)14-25-11-3-5-15-9-10-19-18-7-2-8-20(18)22(24)26-21(19)13-15/h1,4,6,9-10,12-13,18,20,25H,2-3,5,7-8,11,14H2,(H2,24,26)/t18-,20-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Baltruschat ChEMBL | 1 » 0 |