Molecule ID: mol28019

SMILES: N=C(N)SCCCN

InChI: InChI=1S/C4H11N3S/c5-2-1-3-8-4(6)7/h1-3,5H2,(H3,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization