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canSAR914123
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NAMES
    SMILES
    O=CNNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1
    InChI
    InChI=1S/C13H9N5O4S/c19-6-14-17-13(20)7-1-2-8-9(5-7)16-12(15-8)10-3-4-11(23-10)18(21)22/h1-6H,(H,14,19)(H,15,16)(H,17,20)
    MOLECULAR FORMULA
    C13H9N5O4S
    CROSS REFERENCES
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    canSAR914123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.04
    AlogP 1.59
    HBond donors 3
    HBond acceptors 9
    Atoms 32
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR914123.