Molecule ID: mol12167

SMILES: O=C(O)c1cc(N=Nc2ccccc2)c2ccccc2c1O

InChI: InChI=1S/C17H12N2O3/c20-16-13-9-5-4-8-12(13)15(10-14(16)17(21)22)19-18-11-6-2-1-3-7-11/h1-10,20H,(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.40 IUPAC digitized pKa -1 » -2
11.40 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization