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canSAR1592791
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NAMES
    SMILES
    O=S(=O)(c1ccc(C2CCO2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3
    InChI
    InChI=1S/C20H18ClNO4S/c21-17-10-14(9-15-16-11-22-7-5-19(16)26-20(15)17)27(23,24)13-3-1-12(2-4-13)18-6-8-25-18/h1-4,9-10,18,22H,5-8,11H2
    MOLECULAR FORMULA
    C20H18ClNO4S
    CROSS REFERENCES
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    canSAR1592791

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.06
    AlogP 4.03
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    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 canSAR1592791.