728807 logo
canSAR728807
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    OCc1cc(Br)c(O)c(Oc2c(CO)cc(Br)c(O)c2O)c1Br
    InChI
    InChI=1S/C14H11Br3O6/c15-7-2-6(4-19)13(12(22)10(7)20)23-14-9(17)5(3-18)1-8(16)11(14)21/h1-2,18-22H,3-4H2
    MOLECULAR FORMULA
    C14H11Br3O6
    CROSS REFERENCES
    728807 logo

    canSAR728807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.81
    AlogP 3.87
    HBond donors 5
    HBond acceptors 6
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR728807.