Molecule ID: mol30163

SMILES: Cc1c2c(c(O)c3c(OS(=O)(=O)c4ccccc4)cccc13)C(=O)C1(O)C(=O)C(C#N)=C(O)C(N(C)C)C1C2O

InChI: InChI=1S/C28H24N2O9S/c1-13-15-10-7-11-17(39-40(37,38)14-8-5-4-6-9-14)19(15)24(32)20-18(13)25(33)21-22(30(2)3)23(31)16(12-29)26(34)28(21,36)27(20)35/h4-11,21-22,25,31-33,36H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization