Molecule ID: mol35329

SMILES: Cc1c2ccnc(N)c2cc2c1[nH]c1ccncc12

InChI: InChI=1S/C15H12N4/c1-8-9-2-5-18-15(16)11(9)6-10-12-7-17-4-3-13(12)19-14(8)10/h2-7,19H,1H3,(H2,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization