Molecule ID: mol26286

SMILES: CNc1ncnc2c1[n+](C)c(O)c(=O)n2C

InChI: InChI=1S/C9H11N5O2/c1-10-6-5-7(12-4-11-6)14(3)9(16)8(15)13(5)2/h4H,1-3H3,(H,10,11,12)/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.53 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization