Molecule ID: mol8055

SMILES: Cc1nc2c(OC(C)C)nc(N)nc2n(CCO)c1=O

InChI: InChI=1S/C12H17N5O3/c1-6(2)20-10-8-9(15-12(13)16-10)17(4-5-18)11(19)7(3)14-8/h6,18H,4-5H2,1-3H3,(H2,13,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization