Molecule ID: mol21077

SMILES: CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2ccccc2S1

InChI: InChI=1S/C19H16N4S/c1-19(23-18(20)16-7-2-3-8-17(16)24-19)15-6-4-5-13(9-15)14-10-21-12-22-11-14/h2-12H,1H3,(H2,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization