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canSAR1998696
FEATURES
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NAMES
    SMILES
    O=C(CCc1nc(-c2cccs2)no1)Nc1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C15H12N4O4S/c20-13(16-10-3-1-4-11(9-10)19(21)22)6-7-14-17-15(18-23-14)12-5-2-8-24-12/h1-5,8-9H,6-7H2,(H,16,20)
    MOLECULAR FORMULA
    C15H12N4O4S
    CROSS REFERENCES
    1998696 logo

    canSAR1998696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.06
    AlogP 3.28
    HBond donors 1
    HBond acceptors 8
    Atoms 36
    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 canSAR1998696.