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canSAR1149397
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NAMES
    SMILES
    O=C(/C=C/c1cccc(Cl)c1)Oc1cc(CCc2ccccc2)oc(=O)c1
    InChI
    InChI=1S/C22H17ClO4/c23-18-8-4-7-17(13-18)10-12-21(24)27-20-14-19(26-22(25)15-20)11-9-16-5-2-1-3-6-16/h1-8,10,12-15H,9,11H2/b12-10+
    MOLECULAR FORMULA
    C22H17ClO4
    CROSS REFERENCES
    1149397 logo

    canSAR1149397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.08
    AlogP 4.70
    HBond donors 0
    HBond acceptors 4
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149397.