pKahub
About
Molecules
Datasets
Molecule ID:
mol32543
SMILES:
O=C(C=NO)CCl
InChI:
InChI=1S/C3H4ClNO2/c4-1-3(6)2-5-7/h2,7H,1H2
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.90
QSARToolbox
0 » -1
7.90
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization