Molecule ID: mol32804

SMILES: COc1cc(S(N)(=O)=O)cc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC

InChI: InChI=1S/C23H29N3O5S/c1-30-21-13-19(32(24,28)29)12-20(22(21)31-2)23(27)25-16-10-17-8-9-18(11-16)26(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,8-11,14H2,1-2H3,(H,25,27)(H2,24,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization