Molecule ID: mol15050

SMILES: c1nc2c(ccc3c4c(cnc32)CCCC4)c2c1CCCC2

InChI: InChI=1S/C20H20N2/c1-3-7-15-13(5-1)11-21-19-17(15)9-10-18-16-8-4-2-6-14(16)12-22-20(18)19/h9-12H,1-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization