(R)-4'-HYDROXYFLURBIPROFEN

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Keyword(s): Natural Toxins
Molecule Category Free-form
UNII J7HZ7U4CCZ

Structure

InChI Key GTSMMBJBNJDFRA-SECBINFHSA-N
Smiles C[C@H](c1ccc(c2ccc(cc2)O)c(c1)F)C(=O)O
InChI
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13FO3
Molecular Weight 260.08
AlogP 3.39
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 57.53
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 124097-43-4
NORMAN SUSDAT
FDA SRS J7HZ7U4CCZ
PubChem 40579112
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