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canSAR844783
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NAMES
    SMILES
    C[C@@H]1C[C@@](O)(CC(=O)O)c2c(ccc(Cl)c2[N+](=O)[O-])O1
    InChI
    InChI=1S/C12H12ClNO6/c1-6-4-12(17,5-9(15)16)10-8(20-6)3-2-7(13)11(10)14(18)19/h2-3,6,17H,4-5H2,1H3,(H,15,16)/t6-,12-/m1/s1
    MOLECULAR FORMULA
    C12H12ClNO6
    CROSS REFERENCES
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    canSAR844783

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 301.04
    AlogP 2.08
    HBond donors 2
    HBond acceptors 7
    Atoms 32
    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 canSAR844783.