10967/137 - QDB Compounds

QsarDB Repository

Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.

Compound

ID:15
Name:Flumequine
Description:
Labels:pH5, Acid
CAS:42835-25-6
InChi Code:InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)/t7-/m1/s1

Properties

logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i

ValueSource or prediction
-5.15

experimental value

-6.08

Eq4: QSAR model for permeability of drugs and drug-like compounds (Training set)

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