pKahub
About
Molecules
Datasets
Molecule ID:
mol5813
SMILES:
CN(C)N(C)C
InChI:
InChI=1S/C4H12N2/c1-5(2)6(3)4/h1-4H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.19
Datawarrior
1 » 0
6.19
OCHEM
1 » 0
6.19
AttenGpKa training set
1 » 0
6.60
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization