pKahub
About
Molecules
Datasets
Molecule ID:
mol2528
SMILES:
CC1=NCC(C)(C)S1
InChI:
InChI=1S/C6H11NS/c1-5-7-4-6(2,3)8-5/h4H2,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.67
OCHEM
1 » 0
5.67
Hunt
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization