Molecule ID: mol28363

SMILES: Nc1nnnn1NC(=O)c1ccco1

InChI: InChI=1S/C6H6N6O2/c7-6-8-10-11-12(6)9-5(13)4-2-1-3-14-4/h1-3H,(H,9,13)(H2,7,8,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization