Molecule ID: mol8056

SMILES: CC(C)Oc1nc(N)nc2c1nc(O)c(=O)n2C

InChI: InChI=1S/C10H13N5O3/c1-4(2)18-8-5-6(13-10(11)14-8)15(3)9(17)7(16)12-5/h4H,1-3H3,(H,12,16)(H2,11,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization