Molecule ID: mol18124

SMILES: COc1cc(-n2cncc2-c2ccc3ccccc3c2)cc(OC)c1OC

InChI: InChI=1S/C22H20N2O3/c1-25-20-11-18(12-21(26-2)22(20)27-3)24-14-23-13-19(24)17-9-8-15-6-4-5-7-16(15)10-17/h4-14H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization