72489 logo
canSAR72489
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=S(=O)(Nc1c(O)nc2cc(C(F)(F)F)ccc2c1Cc1cccc(Cl)c1)C(F)(F)F
    InChI
    InChI=1S/C18H11ClF6N2O3S/c19-11-3-1-2-9(6-11)7-13-12-5-4-10(17(20,21)22)8-14(12)26-16(28)15(13)27-31(29,30)18(23,24)25/h1-6,8,27H,7H2,(H,26,28)
    MOLECULAR FORMULA
    C18H11ClF6N2O3S
    CROSS REFERENCES
    72489 logo

    canSAR72489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.01
    AlogP 5.46
    HBond donors 2
    HBond acceptors 5
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR72489.