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canSAR2016681
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc2c(C(C)C)cc(C(C)C)c(S(=O)(=O)[O-])c2c1.[Na+]
    InChI
    InChI=1S/C19H26O3S.Na/c1-11(2)14-7-8-15-16(12(3)4)10-17(13(5)6)19(18(15)9-14)23(20,21)22;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1
    MOLECULAR FORMULA
    C19H25NaO3S
    CROSS REFERENCES
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    canSAR2016681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.14
    AlogP 2.12
    HBond donors 0
    HBond acceptors 3
    Atoms 49
    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 canSAR2016681.