Molecule ID: mol21846
SMILES: CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
InChI: InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |