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canSAR1122345
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1cccc2c1C(=O)C=C(SCCO)C2=O
    InChI
    InChI=1S/C12H11NO5S2/c13-20(17,18)10-3-1-2-7-11(10)8(15)6-9(12(7)16)19-5-4-14/h1-3,6,14H,4-5H2,(H2,13,17,18)
    MOLECULAR FORMULA
    C12H11NO5S2
    CROSS REFERENCES
    1122345 logo

    canSAR1122345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.01
    AlogP 0.32
    HBond donors 3
    HBond acceptors 6
    Atoms 31
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1122345.