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canSAR1523681
FEATURES
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NAMES
    SMILES
    Cc1ccc(/[NH+]=C/c2c[c-](Cc3ccccc3Cl)cc([N+](=O)[O-])c2=O)c(O)c1
    InChI
    InChI=1S/C21H16ClN2O4/c1-13-6-7-18(20(25)8-13)23-12-16-10-14(11-19(21(16)26)24(27)28)9-15-4-2-3-5-17(15)22/h2-8,10-12,25H,9H2,1H3/q-1/p+1/b23-12+
    MOLECULAR FORMULA
    C21H17ClN2O4
    CROSS REFERENCES
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    canSAR1523681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.09
    AlogP 2.76
    HBond donors 2
    HBond acceptors 6
    Atoms 45
    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 canSAR1523681.