102481 logo
canSAR102481
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1=C(C)C(=O)C(C(CCCCCCO)c2ccccc2)=C(C)C1=O
    InChI
    InChI=1S/C22H28O3/c1-15-16(2)22(25)20(17(3)21(15)24)19(13-9-4-5-10-14-23)18-11-7-6-8-12-18/h6-8,11-12,19,23H,4-5,9-10,13-14H2,1-3H3
    MOLECULAR FORMULA
    C22H28O3
    CROSS REFERENCES
    102481 logo

    canSAR102481

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 340.20
    AlogP 4.52
    HBond donors 1
    HBond acceptors 3
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR102481.