Molecule ID: mol26343

SMILES: CCN(CC)c1nc(-c2ccccc2)nc2c(OC)cccc12

InChI: InChI=1S/C19H21N3O/c1-4-22(5-2)19-15-12-9-13-16(23-3)17(15)20-18(21-19)14-10-7-6-8-11-14/h6-13H,4-5H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.81 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization