pKahub
About
Molecules
Datasets
Molecule ID:
mol32393
SMILES:
Cc1nnc(C=NO)s1
InChI:
InChI=1S/C4H5N3OS/c1-3-6-7-4(9-3)2-5-8/h2,8H,1H3
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.40
OCHEM
0 » -1
8.40
QSARToolbox
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization