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canSAR1016314
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NAMES
    SMILES
    O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccnc1Nc1ccccc1
    InChI
    InChI=1S/C19H13N5O3S/c25-18(14-7-4-10-20-17(14)21-12-5-2-1-3-6-12)23-19-22-15-9-8-13(24(26)27)11-16(15)28-19/h1-11H,(H,20,21)(H,22,23,25)
    MOLECULAR FORMULA
    C19H13N5O3S
    CROSS REFERENCES
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    canSAR1016314

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.07
    AlogP 4.60
    HBond donors 2
    HBond acceptors 8
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1016314.