pKahub
About
Molecules
Datasets
Molecule ID:
mol27177
SMILES:
CC(C)C(=S)N(C)C
InChI:
InChI=1S/C6H13NS/c1-5(2)6(8)7(3)4/h5H,1-4H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-2.48
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization