Molecule ID: mol18970

SMILES: Clc1ccc2c(c1Nc1ncnc3cc(OCCc4ccncc4)cc(OC4CCOCC4)c13)OCO2

InChI: InChI=1S/C27H25ClN4O5/c28-20-1-2-22-26(36-16-35-22)25(20)32-27-24-21(30-15-31-27)13-19(34-12-5-17-3-8-29-9-4-17)14-23(24)37-18-6-10-33-11-7-18/h1-4,8-9,13-15,18H,5-7,10-12,16H2,(H,30,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization