Molecule ID: mol16814

SMILES: O=C(CCc1c(Cl)cccc1Cl)N[C@H](Cc1cc2ccc(F)cc2[nH]1)C(=O)O

InChI: InChI=1S/C20H17Cl2FN2O3/c21-15-2-1-3-16(22)14(15)6-7-19(26)25-18(20(27)28)10-13-8-11-4-5-12(23)9-17(11)24-13/h1-5,8-9,18,24H,6-7,10H2,(H,25,26)(H,27,28)/t18-/m1/s1

Experimental Macro pKa Values

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