Molecule ID: mol1316

SMILES: CN1CC=CC1

InChI: InChI=1S/C5H9N/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.88 IUPAC digitized pKa 1 » 0
9.88 OCHEM 1 » 0
9.88 OCHEM 1 » 0
9.88 Hunt 1 » 0
9.88 OCHEM 1 » 0
9.88 QSARToolbox 1 » 0
9.92 Datawarrior 1 » 0
9.92 QSARToolbox 1 » 0
9.92 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization