Molecule ID: mol4212

SMILES: CNc1cc(OC)ncn1

InChI: InChI=1S/C6H9N3O/c1-7-5-3-6(10-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization