Molecule ID: mol12316

SMILES: Cc1cc(N=Nc2c(O)ccc3ccccc23)c(O)cc1N=Nc1ccc(Cl)c(S(=O)(=O)O)c1

InChI: InChI=1S/C23H17ClN4O5S/c1-13-10-19(27-28-23-16-5-3-2-4-14(16)6-9-20(23)29)21(30)12-18(13)26-25-15-7-8-17(24)22(11-15)34(31,32)33/h2-12,29-30H,1H3,(H,31,32,33)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.05 IUPAC digitized pKa 0 » -1
9.30 IUPAC digitized pKa 1 » 0
10.12 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization