847460 logo
canSAR847460
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(O)c1O
    InChI
    InChI=1S/C21H22O8/c1-25-16-6-12(5-15(22)19(16)23)4-14-13(9-27-21(14)24)3-11-7-17(26-2)20-18(8-11)28-10-29-20/h5-8,13-14,22-23H,3-4,9-10H2,1-2H3/t13-,14+/m1/s1
    MOLECULAR FORMULA
    C21H22O8
    CROSS REFERENCES
    847460 logo

    canSAR847460

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.13
    AlogP 2.42
    HBond donors 2
    HBond acceptors 8
    Atoms 51
    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 canSAR847460.