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canSAR1112650
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NAMES
    SMILES
    N=C(N)c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1
    InChI
    InChI=1S/C14H11I2N3O3/c15-11-5-9(14(17)18)6-12(16)13(11)22-7-8-2-1-3-10(4-8)19(20)21/h1-6H,7H2,(H3,17,18)
    MOLECULAR FORMULA
    C14H11I2N3O3
    CROSS REFERENCES
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    canSAR1112650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.89
    AlogP 3.67
    HBond donors 3
    HBond acceptors 6
    Atoms 33
    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 canSAR1112650.