Molecule ID: mol19115

SMILES: CN(C)CCCOc1cc2c(cc1O)c1c3c(c(-c4ccccc4Cl)cc1n2CCO)C(=O)NC3=O

InChI: InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization