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canSAR1588620
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NAMES
    SMILES
    CC1=CC(=O)C=C(C)C1=NOC(=O)c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C15H12N2O5/c1-9-6-13(18)7-10(2)14(9)16-22-15(19)11-4-3-5-12(8-11)17(20)21/h3-8H,1-2H3
    MOLECULAR FORMULA
    C15H12N2O5
    CROSS REFERENCES
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    canSAR1588620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.07
    AlogP 2.58
    HBond donors 0
    HBond acceptors 7
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1588620.