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canSAR2002653
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NAMES
    SMILES
    COC(=O)C1=C(NC(=O)c2ccccc2[N+](=O)[O-])CCS1
    InChI
    InChI=1S/C13H12N2O5S/c1-20-13(17)11-9(6-7-21-11)14-12(16)8-4-2-3-5-10(8)15(18)19/h2-5H,6-7H2,1H3,(H,14,16)
    MOLECULAR FORMULA
    C13H12N2O5S
    CROSS REFERENCES
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    canSAR2002653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.05
    AlogP 1.85
    HBond donors 1
    HBond acceptors 7
    Atoms 33
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2002653.