canSAR1417621
FEATURES
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NAMES
    SMILES
    O=C(O)C1=C/C(=C(/c2ccccc2)c2cc(C(=O)[O-])c(O)c3ccccc23)c2ccccc2C1=O.[Na+]
    InChI
    InChI=1S/C29H18O6.Na/c30-26-19-12-6-4-10-17(19)21(14-23(26)28(32)33)25(16-8-2-1-3-9-16)22-15-24(29(34)35)27(31)20-13-7-5-11-18(20)22;/h1-15,30H,(H,32,33)(H,34,35);/q;+1/p-1/b25-22+;
    MOLECULAR FORMULA
    C29H17NaO6
    CROSS REFERENCES
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    canSAR1417621
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight484.09
    AlogP1.08
    HBond donors2
    HBond acceptors6
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417621.