canSAR1831945
FEATURES
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NAMES
    SMILES
    O=C(c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCOCC1
    InChI
    InChI=1S/C17H16N2O5/c20-17(18-8-10-23-11-9-18)13-2-1-3-16(12-13)24-15-6-4-14(5-7-15)19(21)22/h1-7,12H,8-11H2
    MOLECULAR FORMULA
    C17H16N2O5
    CROSS REFERENCES
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    canSAR1831945
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight328.11
    AlogP2.86
    HBond donors0
    HBond acceptors7
    Atoms40
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1831945.