pKahub
About
Molecules
Datasets
Molecule ID:
mol7334
SMILES:
Cc1cncn(C)c1=O
InChI:
InChI=1S/C6H8N2O/c1-5-3-7-4-8(2)6(5)9/h3-4H,1-2H3
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.20
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization