Molecule ID: mol17086

SMILES: CC1=N[C@@](Cc2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N

InChI: InChI=1S/C21H19N5/c1-15-20(22)26-21(25-15,11-16-6-3-2-4-7-16)19-9-5-8-17(10-19)18-12-23-14-24-13-18/h2-10,12-14H,11H2,1H3,(H2,22,26)/t21-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.00 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization