Molecule ID: mol27999

SMILES: N=C(N)CCN

InChI: InChI=1S/C3H9N3/c4-2-1-3(5)6/h1-2,4H2,(H3,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.50 QSARToolbox 2 » 1
7.50 AttenGpKa training set 2 » 1
11.60 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization