989948 logo
canSAR989948
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc(Cl)c3)c12
    InChI
    InChI=1S/C20H13ClO6/c21-11-3-1-2-10(4-11)9-26-17-5-12(22)6-18-19(17)20(25)13-7-14(23)15(24)8-16(13)27-18/h1-8,22-24H,9H2
    MOLECULAR FORMULA
    C20H13ClO6
    CROSS REFERENCES
    989948 logo

    canSAR989948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.04
    AlogP 4.30
    HBond donors 3
    HBond acceptors 6
    Atoms 40
    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 canSAR989948.