989636 logo
canSAR989636
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CN(CCCO)C(=O)C1Oc1ccc(C#N)c(C(F)(F)F)c1
    InChI
    InChI=1S/C17H19F3N2O3/c1-16(2)10-22(6-3-7-23)15(24)14(16)25-12-5-4-11(9-21)13(8-12)17(18,19)20/h4-5,8,14,23H,3,6-7,10H2,1-2H3
    MOLECULAR FORMULA
    C17H19F3N2O3
    CROSS REFERENCES
    989636 logo

    canSAR989636

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.13
    AlogP 2.58
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    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 canSAR989636.