Molecule ID: mol16852

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(C(C)(C)C)cc4)ccc23)c1O

InChI: InChI=1S/C30H35N3O3/c1-30(2,3)22-9-11-23(12-10-22)36-24-13-14-25-26(15-18-33-27(25)19-24)32-17-6-16-31-20-21-7-5-8-28(35-4)29(21)34/h5,7-15,18-19,31,34H,6,16-17,20H2,1-4H3,(H,32,33)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.28 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization