747141 logo
canSAR747141
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCNCC2)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C10H12N6O6/c17-14(18)8-1-2-10(9(7-8)15(19)20)22-12-16(21)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2/b16-12-
    MOLECULAR FORMULA
    C10H12N6O6
    CROSS REFERENCES
    747141 logo

    canSAR747141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.08
    AlogP 0.58
    HBond donors 1
    HBond acceptors 12
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR747141.