pKahub
About
Molecules
Datasets
Molecule ID:
mol1567
SMILES:
CC1(C)CCCNC1
InChI:
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.38
IUPAC digitized pKa
1 » 0
10.38
OCHEM
1 » 0
10.38
Hunt
1 » 0
10.38
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization