651169 logo
canSAR651169
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)CCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O
    InChI
    InChI=1S/C18H14N2O7/c21-16(22)5-2-8-19-17(23)14-7-6-13(10-15(14)18(19)24)27-12-4-1-3-11(9-12)20(25)26/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)
    MOLECULAR FORMULA
    C18H14N2O7
    CROSS REFERENCES
    651169 logo

    canSAR651169

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.08
    AlogP 2.85
    HBond donors 1
    HBond acceptors 9
    Atoms 41
    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 canSAR651169.