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canSAR1768658
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NAMES
    SMILES
    Cc1cc2sc(C)[n+](CCCOS(=O)(=O)O)c2cc1C
    InChI
    InChI=1S/C13H17NO4S2/c1-9-7-12-13(8-10(9)2)19-11(3)14(12)5-4-6-18-20(15,16)17/h7-8H,4-6H2,1-3H3/p+1
    MOLECULAR FORMULA
    C13H18NO4S2+
    CROSS REFERENCES
    1768658 logo

    canSAR1768658

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 316.07
    AlogP 2.32
    HBond donors 1
    HBond acceptors 5
    Atoms 38
    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 canSAR1768658.