Molecule ID: mol31983

SMILES: CC(C)(CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc(O)sc12

InChI: InChI=1S/C25H34N2O3S/c1-25(2,15-7-4-8-17-30-18-14-19-9-5-3-6-10-19)26-16-13-20-11-12-21(28)22-23(20)31-24(29)27-22/h3,5-6,9-12,26,28H,4,7-8,13-18H2,1-2H3,(H,27,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.00 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization