Molecule ID: mol25670

SMILES: Cn1ccnc1CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

InChI: InChI=1S/C20H19Cl2N3O2/c1-25-11-10-23-18(25)9-12-27-19(26)13-14-5-2-3-8-17(14)24-20-15(21)6-4-7-16(20)22/h2-8,10-11,24H,9,12-13H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.66 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization