Molecule ID: mol11071

SMILES: Cc1nc(=S)c2c([nH]1)CCCC2

InChI: InChI=1S/C9H12N2S/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.35 IUPAC digitized pKa 1 » 0
8.91 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization