Molecule ID: mol17084

SMILES: COc1cccc(-c2cccc(C3(C4CCOCC4)N=C(C)C(N)=N3)c2)c1

InChI: InChI=1S/C22H25N3O2/c1-15-21(23)25-22(24-15,18-9-11-27-12-10-18)19-7-3-5-16(13-19)17-6-4-8-20(14-17)26-2/h3-8,13-14,18H,9-12H2,1-2H3,(H2,23,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.00 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization