1496268 logo
canSAR1496268
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2)Nc1ccc(Br)cc1.[Cl-]
    InChI
    InChI=1S/C21H19BrF3N3O.ClH/c22-15-6-8-16(9-7-15)26-19(29)13-28-18-12-14(21(23,24)25)5-10-17(18)27-11-3-1-2-4-20(27)28;/h5-10,12H,1-4,11,13H2;1H
    MOLECULAR FORMULA
    C21H20BrClF3N3O
    CROSS REFERENCES
    1496268 logo

    canSAR1496268

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.04
    AlogP 2.08
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1496268.