1013090 logo
canSAR1013090
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c(C(F)(F)F)c1
    InChI
    InChI=1S/C16H12F3N3O4/c17-16(18,19)13-7-12(21(23)24)8-14(22(25)26)15(13)20-6-5-10-3-1-2-4-11(10)9-20/h1-4,7-8H,5-6,9H2
    MOLECULAR FORMULA
    C16H12F3N3O4
    CROSS REFERENCES
    1013090 logo

    canSAR1013090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 367.08
    AlogP 4.08
    HBond donors 0
    HBond acceptors 7
    Atoms 38
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1013090.