Molecule ID: mol29575

SMILES: C=C(C)CCc1nc(N)c2[nH]cnc2n1

InChI: InChI=1S/C10H13N5/c1-6(2)3-4-7-14-9(11)8-10(15-7)13-5-12-8/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization