1153291 logo
canSAR1153291
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COP(=O)(OC)C(OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C17H17N2O10P/c1-26-30(25,27-2)17(12-6-5-7-13(10-12)18(21)22)29-16(20)11-28-15-9-4-3-8-14(15)19(23)24/h3-10,17H,11H2,1-2H3
    MOLECULAR FORMULA
    C17H17N2O10P
    CROSS REFERENCES
    1153291 logo

    canSAR1153291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.06
    AlogP 3.61
    HBond donors 0
    HBond acceptors 12
    Atoms 47
    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 canSAR1153291.