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canSAR1524729
FEATURES
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NAMES
    SMILES
    Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1ccc(O)cc1O
    InChI
    InChI=1S/C13H13N5O5/c1-8-4-12(18(22)23)16-17(8)7-13(21)15-14-6-9-2-3-10(19)5-11(9)20/h2-6,19-20H,7H2,1H3,(H,15,21)/b14-6+
    MOLECULAR FORMULA
    C13H13N5O5
    CROSS REFERENCES
    1524729 logo

    canSAR1524729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.09
    AlogP 0.66
    HBond donors 3
    HBond acceptors 10
    Atoms 36
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1524729.