Molecule ID: mol21074

SMILES: CC1(c2cccc(-c3cncnc3)c2)N=C(N)CCS1

InChI: InChI=1S/C15H16N4S/c1-15(19-14(16)5-6-20-15)13-4-2-3-11(7-13)12-8-17-10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,16,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization