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canSAR1430513
FEATURES
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NAMES
    SMILES
    CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(C)=O
    InChI
    InChI=1S/C18H16F2O5/c1-11(21)23-10-18-17(24-12(2)22)8-7-15(25-18)6-4-13-3-5-14(19)9-16(13)20/h3,5,7-9,15,17-18H,10H2,1-2H3/t15-,17+,18-/m1/s1
    MOLECULAR FORMULA
    C18H16F2O5
    CROSS REFERENCES
    1430513 logo

    canSAR1430513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.10
    AlogP 2.13
    HBond donors 0
    HBond acceptors 5
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430513.