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canSAR1012444
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NAMES
    SMILES
    CC(C)(C)c1ccc(S(=O)(=O)/C=C/C(N)=O)cc1
    InChI
    InChI=1S/C13H17NO3S/c1-13(2,3)10-4-6-11(7-5-10)18(16,17)9-8-12(14)15/h4-9H,1-3H3,(H2,14,15)/b9-8+
    MOLECULAR FORMULA
    C13H17NO3S
    CROSS REFERENCES
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    canSAR1012444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 267.09
    AlogP 1.76
    HBond donors 2
    HBond acceptors 4
    Atoms 35
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1012444.