Molecule ID: mol174

SMILES: CN(C)C

InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.27 IUPAC digitized pKa 1 » 0
9.28 IUPAC digitized pKa 1 » 0
9.45 IUPAC digitized pKa 1 » 0
9.48 IUPAC digitized pKa 1 » 0
9.69 IUPAC digitized pKa 1 » 0
9.69 OCHEM 1 » 0
9.75 IUPAC digitized pKa 1 » 0
9.78 AttenGpKa training set 1 » 0
9.78 IUPAC digitized pKa 1 » 0
9.80 IUPAC digitized pKa 1 » 0
9.80 Organic Oxygen Acids and Nitrogen Bases 1 » 0
9.80 OCHEM 1 » 0
9.80 OCHEM 1 » 0
9.80 OCHEM 1 » 0
9.80 OCHEM 1 » 0
9.80 Hunt 1 » 0
9.80 OCHEM 1 » 0
9.80 Baltruschat ChEMBL 1 » 0
9.80 Settimo 1 » 0
9.80 IUPAC digitized pKa 1 » 0
9.80 OCHEM 1 » 0
9.80 OCHEM 1 » 0
9.81 IUPAC digitized pKa 1 » 0
9.81 IUPAC digitized pKa 1 » 0
9.91 IUPAC digitized pKa 1 » 0
9.96 Datawarrior 1 » 0
9.96 OCHEM 1 » 0
9.98 IUPAC digitized pKa 1 » 0
9.99 IUPAC digitized pKa 1 » 0
10.13 IUPAC digitized pKa 1 » 0
10.26 IUPAC digitized pKa 1 » 0
10.36 IUPAC digitized pKa 1 » 0
10.36 IUPAC digitized pKa 1 » 0
10.36 IUPAC digitized pKa 1 » 0
10.41 IUPAC digitized pKa 1 » 0
10.56 IUPAC digitized pKa 1 » 0
10.64 IUPAC digitized pKa 1 » 0
10.96 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization