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canSAR1617486
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NAMES
    SMILES
    CC1(C)CC(=O)c2c(O)cc(OCc3ccc([N+](=O)[O-])cc3)cc2O1
    InChI
    InChI=1S/C18H17NO6/c1-18(2)9-15(21)17-14(20)7-13(8-16(17)25-18)24-10-11-3-5-12(6-4-11)19(22)23/h3-8,20H,9-10H2,1-2H3
    MOLECULAR FORMULA
    C18H17NO6
    CROSS REFERENCES
    1617486 logo

    canSAR1617486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.11
    AlogP 3.62
    HBond donors 1
    HBond acceptors 7
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617486.