Molecule ID: mol335

SMILES: O=C1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(Br)cc1)N1CC[C@H](O)[C@@H]21

InChI: InChI=1S/C22H20BrFN2O3/c23-14-5-3-13(4-6-14)19-17-18(20-16(27)9-10-25(19)20)22(29)26(21(17)28)11-12-1-7-15(24)8-2-12/h1-8,16-20,27H,9-11H2/t16-,17-,18+,19-,20-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.20 OCHEM 1 » 0
4.20 Settimo 1 » 0
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Charge States and Microspecies Visualization