pKahub
About
Molecules
Datasets
Molecule ID:
mol1579
SMILES:
C=C1CCCN(C)C1
InChI:
InChI=1S/C7H13N/c1-7-4-3-5-8(2)6-7/h1,3-6H2,2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.31
IUPAC digitized pKa
1 » 0
9.31
OCHEM
1 » 0
9.31
Hunt
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization