RAXOFELAST

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TC0T0O9VYO

Structure

InChI Key QLWBKUUORSULMI-UHFFFAOYSA-N
Smiles CC(=O)Oc1c(C)c(C)c2OC(CC(O)=O)Cc2c1C
InChI
InChI=1S/C15H18O5/c1-7-8(2)15-12(5-11(20-15)6-13(17)18)9(3)14(7)19-10(4)16/h11H,5-6H2,1-4H3,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18O5
Molecular Weight 278.12
AlogP 2.32
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 72.83
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 128232-14-4
NORMAN SUSDAT
FDA SRS TC0T0O9VYO
CONTENTS