Molecule ID: mol17097

SMILES: CC1(c2cccc(-c3cccnc3)c2)N=C(N)C(c2ccccc2)=N1

InChI: InChI=1S/C21H18N4/c1-21(24-19(20(22)25-21)15-7-3-2-4-8-15)18-11-5-9-16(13-18)17-10-6-12-23-14-17/h2-14H,1H3,(H2,22,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.40 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization