46176 logo
canSAR46176
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(C(=O)O)cc2n1
    InChI
    InChI=1S/C18H13NO7/c20-14-2-1-8(4-16(14)22)3-9-5-13(18(25)26)19-12-6-11(17(23)24)15(21)7-10(9)12/h1-2,4-7,20-22H,3H2,(H,23,24)(H,25,26)
    MOLECULAR FORMULA
    C18H13NO7
    CROSS REFERENCES
    46176 logo

    canSAR46176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.07
    AlogP 2.34
    HBond donors 5
    HBond acceptors 8
    Atoms 39
    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 canSAR46176.