Molecule ID: mol29742

SMILES: Cc1cc(C)c2c(/N=N/c3ccc(O)cc3C)n[nH]c2n1

InChI: InChI=1S/C15H15N5O/c1-8-7-11(21)4-5-12(8)17-19-15-13-9(2)6-10(3)16-14(13)18-20-15/h4-7,21H,1-3H3,(H,16,18,20)/b19-17+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization