501851 logo
canSAR501851
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)/C(=C/c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])c1ccccc1F
    InChI
    InChI=1S/C22H16FNO5/c23-20-9-5-4-8-18(20)19(22(25)26)13-16-12-17(10-11-21(16)24(27)28)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26)/b19-13+
    MOLECULAR FORMULA
    C22H16FNO5
    CROSS REFERENCES
    501851 logo

    canSAR501851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.10
    AlogP 4.94
    HBond donors 1
    HBond acceptors 6
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR501851.