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canSAR1130957
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NAMES
    SMILES
    O=C(c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)N(CCO)CCO
    InChI
    InChI=1S/C14H16N4O5/c19-6-4-17(5-7-20)14(21)13-9-12(15-16-13)10-2-1-3-11(8-10)18(22)23/h1-3,8-9,19-20H,4-7H2,(H,15,16)
    MOLECULAR FORMULA
    C14H16N4O5
    CROSS REFERENCES
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    canSAR1130957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.11
    AlogP 0.41
    HBond donors 3
    HBond acceptors 9
    Atoms 39
    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 canSAR1130957.