Molecule ID: mol851

SMILES: CNC

InChI: InChI=1S/C2H7N/c1-3-2/h3H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.09 IUPAC digitized pKa 1 » 0
10.35 IUPAC digitized pKa 1 » 0
10.63 IUPAC digitized pKa 1 » 0
10.63 OCHEM 1 » 0
10.71 AttenGpKa training set 1 » 0
10.73 Organic Oxygen Acids and Nitrogen Bases 1 » 0
10.73 OCHEM 1 » 0
10.73 OCHEM 1 » 0
10.73 Hunt 1 » 0
10.73 OCHEM 1 » 0
10.73 IUPAC digitized pKa 1 » 0
10.77 IUPAC digitized pKa 1 » 0
10.77 OCHEM 1 » 0
10.77 OCHEM 1 » 0
10.78 OCHEM 1 » 0
10.78 Baltruschat ChEMBL 1 » 0
10.81 IUPAC digitized pKa 1 » 0
10.92 IUPAC digitized pKa 1 » 0
10.98 Datawarrior 1 » 0
10.98 OCHEM 1 » 0
11.14 IUPAC digitized pKa 1 » 0
11.21 IUPAC digitized pKa 1 » 0
11.23 IUPAC digitized pKa 1 » 0
11.55 IUPAC digitized pKa 1 » 0
11.55 IUPAC digitized pKa 1 » 0
11.56 IUPAC digitized pKa 1 » 0
11.60 IUPAC digitized pKa 1 » 0
11.88 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization