Molecule ID: mol8061

SMILES: CC(C)Oc1nc(N)nc2c1ncc(=O)n2C

InChI: InChI=1S/C10H13N5O2/c1-5(2)17-9-7-8(13-10(11)14-9)15(3)6(16)4-12-7/h4-5H,1-3H3,(H2,11,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.17 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization