Molecule ID: mol2769

SMILES: C1=CN2CC(c3ccccc3)N=C2S1

InChI: InChI=1S/C11H10N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-7,10H,8H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.70 Novartis 1 » 0
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Charge States and Microspecies Visualization