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canSAR550999
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)[O-])c(C=O)c2c1CC1(CCCCC1)O2.[Na+]
    InChI
    InChI=1S/C16H18O5.Na/c1-20-13-7-10(15(18)19)12(9-17)14-11(13)8-16(21-14)5-3-2-4-6-16;/h7,9H,2-6,8H2,1H3,(H,18,19);/q;+1/p-1
    MOLECULAR FORMULA
    C16H17NaO5
    CROSS REFERENCES
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    canSAR550999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.10
    AlogP -1.49
    HBond donors 0
    HBond acceptors 5
    Atoms 39
    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 canSAR550999.