Molecule ID: mol36421

SMILES: CN(C)c1nc(N2CCCCC2)nc2c(N(C)C)nc(N3CCCCC3)nc12

InChI: InChI=1S/C20H32N8/c1-25(2)17-15-16(22-19(23-17)27-11-7-5-8-12-27)18(26(3)4)24-20(21-15)28-13-9-6-10-14-28/h5-14H2,1-4H3

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