Molecule ID: mol21861
SMILES: CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
InChI: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.75 | OCHEM | 1 » 0 |