Molecule ID: mol21115

SMILES: Oc1nsc2c1CCNC2

InChI: InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.10 Baltruschat ChEMBL 1 » 0
8.50 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization