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canSAR1068669
FEATURES
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NAMES
    SMILES
    CCC1=C[C@@](CC)(C[C@@H](CC)CCC(C)=O)OC1=O
    InChI
    InChI=1S/C16H26O3/c1-5-13(9-8-12(4)17)10-16(7-3)11-14(6-2)15(18)19-16/h11,13H,5-10H2,1-4H3/t13-,16+/m0/s1
    MOLECULAR FORMULA
    C16H26O3
    CROSS REFERENCES
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    canSAR1068669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 266.19
    AlogP 3.81
    HBond donors 0
    HBond acceptors 3
    Atoms 45
    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 canSAR1068669.