828406 logo
canSAR828406
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    [N-]=[N+]=Nc1ccc(-c2cc(C(=O)O)c3cccc(C(=O)c4ccccc4)c3n2)cc1
    InChI
    InChI=1S/C23H14N4O3/c24-27-26-16-11-9-14(10-12-16)20-13-19(23(29)30)17-7-4-8-18(21(17)25-20)22(28)15-5-2-1-3-6-15/h1-13H,(H,29,30)
    MOLECULAR FORMULA
    C23H14N4O3
    CROSS REFERENCES
    828406 logo

    canSAR828406

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.11
    AlogP 5.77
    HBond donors 1
    HBond acceptors 7
    Atoms 44
    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 canSAR828406.