canSAR1632011
FEATURES
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NAMES
    SMILES
    O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C18H18N4O5/c23-18(13-14-1-3-16(4-2-14)21(24)25)20-11-9-19(10-12-20)15-5-7-17(8-6-15)22(26)27/h1-8H,9-13H2
    MOLECULAR FORMULA
    C18H18N4O5
    CROSS REFERENCES
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    canSAR1632011
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight370.13
    AlogP2.39
    HBond donors0
    HBond acceptors9
    Atoms45
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632011.