Molecule ID: mol20275

SMILES: C[n+]1c2ccccc2c(Nc2cccnc2)c2[nH]c3ccccc3c21

InChI: InChI=1S/C21H16N4/c1-25-18-11-5-3-9-16(18)19(23-14-7-6-12-22-13-14)20-21(25)15-8-2-4-10-17(15)24-20/h2-13H,1H3,(H,23,24)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization