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canSAR1721144
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NAMES
    SMILES
    CC(C)CC(CO)N[S+](=O)([O-])c1cccc(Cl)c1F
    InChI
    InChI=1S/C12H17ClFNO3S/c1-8(2)6-9(7-16)15-19(17,18)11-5-3-4-10(13)12(11)14/h3-5,8-9,16H,6-7H2,1-2H3,(H-,15,17,18)
    MOLECULAR FORMULA
    C12H17ClFNO3S
    CROSS REFERENCES
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    canSAR1721144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 309.06
    AlogP 2.38
    HBond donors 2
    HBond acceptors 4
    Atoms 36
    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 canSAR1721144.