Molecule ID: mol20286

SMILES: COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC(CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2

InChI: InChI=1S/C35H46FN3O4/c1-35(2,3)28-11-8-10-26(19-28)32(21-36)38-22-33(40)31-18-24-9-7-12-30(17-24)43-14-6-5-13-37-29-16-25(23-42-4)15-27(20-29)34(41)39-31/h7-12,15-17,19-20,31-33,37-38,40H,5-6,13-14,18,21-23H2,1-4H3,(H,39,41)/t31-,32?,33+/m0/s1

Experimental Macro pKa Values

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