Molecule ID: mol31647

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

InChI: InChI=1S/C14H20N2O3S/c1-10(2)15-8-9-20-14(16-18)13(17)11-4-6-12(19-3)7-5-11/h4-7,10,15,18H,8-9H2,1-3H3/b16-14-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization