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canSAR1829891
FEATURES
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NAMES
    SMILES
    C[C@@H]1N[S+](=O)([O-])[C@H]2C[C@@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccccc1Br
    InChI
    InChI=1S/C16H16BrNO5S/c1-9-14(22-15(19)11-4-2-3-5-12(11)17)16-7-6-10(23-16)8-13(16)24(20,21)18-9/h2-7,9-10,13-14H,8H2,1H3,(H-,18,20,21)/t9-,10-,13-,14-,16+/m0/s1
    MOLECULAR FORMULA
    C16H16BrNO5S
    CROSS REFERENCES
    1829891 logo

    canSAR1829891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.99
    AlogP 1.98
    HBond donors 1
    HBond acceptors 6
    Atoms 40
    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 canSAR1829891.