Molecule ID: mol15023

SMILES: CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O

InChI: InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,21H,5-6H2,1-4H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.55 Datawarrior 0 » -1
6.55 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization