Molecule ID: mol30076

SMILES: Cc1cnc(C(=O)OCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1

InChI: InChI=1S/C21H26N4O5S/c1-15-13-23-19(14-22-15)20(26)30-12-11-16-7-9-18(10-8-16)31(28,29)25-21(27)24-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H2,24,25,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization