504693 logo
canSAR504693
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(OCC(=O)Nc2ccccc2C(=O)O)c(Br)cc1Cl
    InChI
    InChI=1S/C16H13BrClNO4/c1-9-6-14(11(17)7-12(9)18)23-8-15(20)19-13-5-3-2-4-10(13)16(21)22/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
    MOLECULAR FORMULA
    C16H13BrClNO4
    CROSS REFERENCES
    504693 logo

    canSAR504693

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.97
    AlogP 4.13
    HBond donors 2
    HBond acceptors 5
    Atoms 36
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504693.