Molecule ID: mol6379

SMILES: CSc1ccc(N)cn1

InChI: InChI=1S/C6H8N2S/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.58 QSARToolbox 2 » 1
3.03 IUPAC digitized pKa 1 » 0
3.30 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization