Molecule ID: mol28054

SMILES: Oc1cccc(O)c1N=C1NCCN1

InChI: InChI=1S/C9H11N3O2/c13-6-2-1-3-7(14)8(6)12-9-10-4-5-11-9/h1-3,13-14H,4-5H2,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization