Molecule ID: mol32184

SMILES: COc1ccc(C(=O)/C(=N/O)SCCN(C(C)C)C(C)C)cc1

InChI: InChI=1S/C17H26N2O3S/c1-12(2)19(13(3)4)10-11-23-17(18-21)16(20)14-6-8-15(22-5)9-7-14/h6-9,12-13,21H,10-11H2,1-5H3/b18-17-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization