Molecule ID: mol26743

SMILES: COc1cccc2c(SCN(C)C)c3ccccc3nc12

InChI: InChI=1S/C17H18N2OS/c1-19(2)11-21-17-12-7-4-5-9-14(12)18-16-13(17)8-6-10-15(16)20-3/h4-10H,11H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.13 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization