Molecule ID: mol8060

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

InChI: InChI=1S/C11H15N5O2/c1-5(2)18-9-7-8(14-11(12)15-9)16(4)10(17)6(3)13-7/h5H,1-4H3,(H2,12,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization