Molecule ID: mol255

SMILES: CN(C)CCCCSc1ccccc1

InChI: InChI=1S/C12H19NS/c1-13(2)10-6-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization