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canSAR1085779
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NAMES
    SMILES
    [N-]=[N+]=NCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2
    InChI
    InChI=1S/C18H11N5O4/c19-21-20-7-8-22-16-12-3-1-2-4-13(12)17(24)15(16)11-6-5-10(23(26)27)9-14(11)18(22)25/h1-6,9H,7-8H2
    MOLECULAR FORMULA
    C18H11N5O4
    CROSS REFERENCES
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    canSAR1085779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.08
    AlogP 3.43
    HBond donors 0
    HBond acceptors 9
    Atoms 38
    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 canSAR1085779.