Molecule ID: mol38164

SMILES: CCN(CC)c1ccc2c(c1)Oc1cc(N)c3ccccc3c1N2

InChI: InChI=1S/C20H21N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,22H,3-4,21H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization