Molecule ID: mol21065

SMILES: C/N=C(\S)NCCSCc1[nH]cnc1C

InChI: InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization