canSAR1417687
FEATURES
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NAMES
    SMILES
    O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(Br)cc1
    InChI
    InChI=1S/C13H6BrN3O5S/c14-7-1-3-8(4-2-7)15-13(18)12-10(17(21)22)5-9(16(19)20)6-11(12)23-15/h1-6H
    MOLECULAR FORMULA
    C13H6BrN3O5S
    CROSS REFERENCES
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    canSAR1417687
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight394.92
    AlogP3.63
    HBond donors0
    HBond acceptors8
    Atoms29
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417687.