Molecule ID: mol29748

SMILES: Cc1cc(C)c2c(/N=N/c3ccc(O)cc3O)n[nH]c2n1

InChI: InChI=1S/C14H13N5O2/c1-7-5-8(2)15-13-12(7)14(19-17-13)18-16-10-4-3-9(20)6-11(10)21/h3-6,20-21H,1-2H3,(H,15,17,19)/b18-16+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization