1104998 logo
canSAR1104998
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2cc(F)ccc2F)cc1
    InChI
    InChI=1S/C20H12BrF2N3O5S/c21-12-1-8-17-18(9-12)25(32(29,30)19-10-13(22)2-7-16(19)23)20(24-17)11-31-15-5-3-14(4-6-15)26(27)28/h1-10H,11H2
    MOLECULAR FORMULA
    C20H12BrF2N3O5S
    CROSS REFERENCES
    1104998 logo

    canSAR1104998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.96
    AlogP 4.80
    HBond donors 0
    HBond acceptors 8
    Atoms 44
    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 canSAR1104998.