Ibuprofen
C13 H18O2: 206.28
2 - (4 - Isobutylphenyl) propionic acid
CAS Registry Number :
15687-27-1
51146-57-7
51146-56-6
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**CAUTION**
Above pharmaceutical is actually provided by a racemic mixture but the modeling was made for the (S)-enantiomer.

File Download
Conformational Distribution
(Download SD File)
Spartan View
(Download Spartan Exchange File)
Electrostatic Potential Map
-60 30 (kcal/mol)
(Download zipped VRML File)

LogP
cLogP
Gorse-Crippen
Villar
3.73


Cambridge Structural Database Registry Number
Refcord
NBS ID
MSDBIB
IBPRAC
514388
601027

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