1500585 logo
canSAR1500585
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)c1[nH]n(-c2ccc(S(=O)(=O)O)cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)O)cc1
    InChI
    InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,19H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+
    MOLECULAR FORMULA
    C16H12N4O9S2
    CROSS REFERENCES
    1500585 logo

    canSAR1500585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.00
    AlogP 1.77
    HBond donors 4
    HBond acceptors 13
    Atoms 43
    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 canSAR1500585.