1723225 logo
canSAR1723225
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[n+]1ccc(C)c2cc([S+]([O-])C(F)(F)F)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C13H13F3NOS.C7H8O3S/c1-3-17-7-6-9(2)11-8-10(4-5-12(11)17)19(18)13(14,15)16;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
    MOLECULAR FORMULA
    C20H20F3NO4S2
    CROSS REFERENCES
    1723225 logo

    canSAR1723225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.08
    AlogP 3.98
    HBond donors 0
    HBond acceptors 5
    Atoms 50
    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 canSAR1723225.