canSAR1832744
FEATURES
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NAMES
    SMILES
    CCCc1nc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)n1CC(C)C
    InChI
    InChI=1S/C16H21N3O4S/c1-4-8-14-17-15(19(20)21)16(18(14)11-12(2)3)24(22,23)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11H2,1-3H3
    MOLECULAR FORMULA
    C16H21N3O4S
    CROSS REFERENCES
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    canSAR1832744
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight351.13
    AlogP3.23
    HBond donors0
    HBond acceptors7
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832744.