Molecule ID: mol17736

SMILES: COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCCC5)cn4)CC3)o2)cc1

InChI: InChI=1S/C25H29N5O4/c1-32-20-7-5-19(6-8-20)23-27-28-24(34-23)25(31)30-14-10-21(11-15-30)33-22-9-4-18(16-26-22)17-29-12-2-3-13-29/h4-9,16,21H,2-3,10-15,17H2,1H3

Experimental Macro pKa Values

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