504221 logo
canSAR504221
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc(/C=C(\c2nc3ccccc3s2)C(P(=O)(O)O)P(=O)(O)O)cc1
    InChI
    InChI=1S/C16H14N2O8P2S/c19-18(20)11-7-5-10(6-8-11)9-12(16(27(21,22)23)28(24,25)26)15-17-13-3-1-2-4-14(13)29-15/h1-9,16H,(H2,21,22,23)(H2,24,25,26)/b12-9+
    MOLECULAR FORMULA
    C16H14N2O8P2S
    CROSS REFERENCES
    504221 logo

    canSAR504221

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.99
    AlogP 3.43
    HBond donors 4
    HBond acceptors 10
    Atoms 43
    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 canSAR504221.