Molecule ID: mol2946

SMILES: Fc1ccc([C@H]2CCNC[C@@H]2COc2ccc3c(c2)OCO3)cc1

InChI: InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Novartis 1 » 0
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Charge States and Microspecies Visualization