Molecule ID: mol29000

SMILES: Nc1cc[n+](CCOP(=O)(O)O)c(N)n1

InChI: InChI=1S/C6H11N4O4P/c7-5-1-2-10(6(8)9-5)3-4-14-15(11,12)13/h1-2H,3-4H2,(H5,7,8,9,11,12,13)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization