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canSAR654580
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NAMES
    SMILES
    COc1cc(C(=O)c2ccc3c(ccc[n+]3[O-])c2)cc(OC)c1OC
    InChI
    InChI=1S/C19H17NO5/c1-23-16-10-14(11-17(24-2)19(16)25-3)18(21)13-6-7-15-12(9-13)5-4-8-20(15)22/h4-11H,1-3H3
    MOLECULAR FORMULA
    C19H17NO5
    CROSS REFERENCES
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    canSAR654580

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.11
    AlogP 2.73
    HBond donors 0
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654580.