Molecule ID: mol36258

SMILES: Cc1c(N(C)C)cc(Cc2cnc(N)nc2N)cc1N(C)C

InChI: InChI=1S/C16H24N6/c1-10-13(21(2)3)7-11(8-14(10)22(4)5)6-12-9-19-16(18)20-15(12)17/h7-9H,6H2,1-5H3,(H4,17,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization