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canSAR1522221
FEATURES
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NAMES
    SMILES
    CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C13H19N3O6S2/c1-2-11-23(19,20)14-7-9-15(10-8-14)24(21,22)13-6-4-3-5-12(13)16(17)18/h3-6H,2,7-11H2,1H3
    MOLECULAR FORMULA
    C13H19N3O6S2
    CROSS REFERENCES
    1522221 logo

    canSAR1522221

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.07
    AlogP 0.64
    HBond donors 0
    HBond acceptors 9
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522221.