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canSAR120618
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NAMES
    SMILES
    CC(=O)OC(CC#CCS(=O)(=O)c1ccccc1)Cn1ccnc1[N+](=O)[O-]
    InChI
    InChI=1S/C17H17N3O6S/c1-14(21)26-15(13-19-11-10-18-17(19)20(22)23)7-5-6-12-27(24,25)16-8-3-2-4-9-16/h2-4,8-11,15H,7,12-13H2,1H3
    MOLECULAR FORMULA
    C17H17N3O6S
    CROSS REFERENCES
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    canSAR120618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.08
    AlogP 1.59
    HBond donors 0
    HBond acceptors 9
    Atoms 44
    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 canSAR120618.