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canSAR565301
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NAMES
    SMILES
    Cc1cc(C(C)C)[n+](Cc2ccc(S(N)(=O)=O)cc2)c(C(C)C)c1
    InChI
    InChI=1S/C19H27N2O2S/c1-13(2)18-10-15(5)11-19(14(3)4)21(18)12-16-6-8-17(9-7-16)24(20,22)23/h6-11,13-14H,12H2,1-5H3,(H2,20,22,23)/q+1
    MOLECULAR FORMULA
    C19H27N2O2S+
    CROSS REFERENCES
    565301 logo

    canSAR565301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.18
    AlogP 3.23
    HBond donors 2
    HBond acceptors 4
    Atoms 51
    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 canSAR565301.