Molecule ID: mol846

SMILES: CN

InChI: InChI=1S/CH5N/c1-2/h2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.88 IUPAC digitized pKa 1 » 0
9.97 IUPAC digitized pKa 1 » 0
10.16 IUPAC digitized pKa 1 » 0
10.47 IUPAC digitized pKa 1 » 0
10.58 IUPAC digitized pKa 1 » 0
10.62 IUPAC digitized pKa 1 » 0
10.62 Organic Oxygen Acids and Nitrogen Bases 1 » 0
10.62 OCHEM 1 » 0
10.62 OCHEM 1 » 0
10.62 OCHEM 1 » 0
10.62 OCHEM 1 » 0
10.63 OCHEM 1 » 0
10.63 Baltruschat ChEMBL 1 » 0
10.64 OCHEM 1 » 0
10.64 AttenGpKa training set 1 » 0
10.66 IUPAC digitized pKa 1 » 0
10.66 OCHEM 1 » 0
10.66 Hunt 1 » 0
10.67 IUPAC digitized pKa 1 » 0
10.68 IUPAC digitized pKa 1 » 0
10.75 IUPAC digitized pKa 1 » 0
10.76 Datawarrior 1 » 0
10.76 OCHEM 1 » 0
10.79 IUPAC digitized pKa 1 » 0
10.96 IUPAC digitized pKa 1 » 0
11.08 IUPAC digitized pKa 1 » 0
11.13 IUPAC digitized pKa 1 » 0
11.30 IUPAC digitized pKa 1 » 0
11.41 IUPAC digitized pKa 1 » 0
11.50 IUPAC digitized pKa 1 » 0
11.56 IUPAC digitized pKa 1 » 0
11.57 IUPAC digitized pKa 1 » 0
11.67 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization