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canSAR1148025
FEATURES
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NAMES
    SMILES
    O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cc[n+]([O-])cc2)O1
    InChI
    InChI=1S/C19H17Cl2NO5/c20-13-7-17(21)16(2-1-15-9-14(23)10-19(24)27-15)18(8-13)26-11-12-3-5-22(25)6-4-12/h1-8,14-15,23H,9-11H2/b2-1+/t14-,15-/m1/s1
    MOLECULAR FORMULA
    C19H17Cl2NO5
    CROSS REFERENCES
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    canSAR1148025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.05
    AlogP 3.29
    HBond donors 1
    HBond acceptors 6
    Atoms 44
    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 canSAR1148025.