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canSAR838853
FEATURES
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NAMES
    SMILES
    C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(Cl)ccc2O1
    InChI
    InChI=1S/C12H13ClO4/c1-7-5-12(16,6-11(14)15)9-4-8(13)2-3-10(9)17-7/h2-4,7,16H,5-6H2,1H3,(H,14,15)/t7-,12-/m1/s1
    MOLECULAR FORMULA
    C12H13ClO4
    CROSS REFERENCES
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    canSAR838853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 256.05
    AlogP 2.17
    HBond donors 2
    HBond acceptors 4
    Atoms 30
    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 canSAR838853.