Molecule ID: mol7801

SMILES: c1n[nH]c2c1CCC2

InChI: InChI=1S/C6H8N2/c1-2-5-4-7-8-6(5)3-1/h4H,1-3H2,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.61 IUPAC digitized pKa 1 » 0
3.61 AttenGpKa training set 1 » 0
3.61 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization