Molecule ID: mol19132

SMILES: Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O

InChI: InChI=1S/C28H26ClN3O5/c1-31-20-15-23(37-10-4-7-32-8-11-36-12-9-32)22(33)14-18(20)24-21(31)13-17(16-5-2-3-6-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,5-6,13-15,33H,4,7-12H2,1H3,(H,30,34,35)

Experimental Macro pKa Values

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