1060890 logo
canSAR1060890
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NCCCC(NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F
    InChI
    InChI=1S/C14H16F3N3O6/c15-10-6-9(20(24)25)3-2-8(10)7-26-13(23)19-14(11(16)17,12(21)22)4-1-5-18/h2-3,6,11H,1,4-5,7,18H2,(H,19,23)(H,21,22)
    MOLECULAR FORMULA
    C14H16F3N3O6
    CROSS REFERENCES
    1060890 logo

    canSAR1060890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.10
    AlogP 1.79
    HBond donors 4
    HBond acceptors 9
    Atoms 42
    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 canSAR1060890.