Molecule ID: mol8036

SMILES: C=CCNc1nc(C)c2nc(C)c(C)nc2n1

InChI: InChI=1S/C12H15N5/c1-5-6-13-12-16-9(4)10-11(17-12)15-8(3)7(2)14-10/h5H,1,6H2,2-4H3,(H,13,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.77 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization