Molecule ID: mol24754

SMILES: CN(N)C(=O)c1ccncc1

InChI: InChI=1S/C7H9N3O/c1-10(8)7(11)6-2-4-9-5-3-6/h2-5H,8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.03 AttenGpKa training set 2 » 1
4.17 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization