Molecule ID: mol8188

SMILES: CCOC(=O)C(C(C)=O)C1C=Nc2ncncc2N1

InChI: InChI=1S/C12H14N4O3/c1-3-19-12(18)10(7(2)17)8-5-14-11-9(16-8)4-13-6-15-11/h4-6,8,10,16H,3H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization