Molecule ID: mol18645

SMILES: Cc1cc(COc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1

InChI: InChI=1S/C21H19N5O3/c1-15-12-20(24(22-15)17-6-4-3-5-7-17)14-29-21-13-16(2)23-25(21)18-8-10-19(11-9-18)26(27)28/h3-13H,14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization