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canSAR102256
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NAMES
    SMILES
    Nc1ncnc(N[C@@H]2O[C@H](CBr)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]
    InChI
    InChI=1S/C9H12BrN5O5/c10-1-3-5(16)6(17)9(20-3)14-8-4(15(18)19)7(11)12-2-13-8/h2-3,5-6,9,16-17H,1H2,(H3,11,12,13,14)/t3-,5-,6-,9-/m1/s1
    MOLECULAR FORMULA
    C9H12BrN5O5
    CROSS REFERENCES
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    canSAR102256

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.00
    AlogP -0.78
    HBond donors 5
    HBond acceptors 10
    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 canSAR102256.