918768 logo
canSAR918768
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(COC(=O)c1ccc([N+](=O)[O-])o1)NCC1CCCO1
    InChI
    InChI=1S/C12H14N2O7/c15-10(13-6-8-2-1-5-19-8)7-20-12(16)9-3-4-11(21-9)14(17)18/h3-4,8H,1-2,5-7H2,(H,13,15)
    MOLECULAR FORMULA
    C12H14N2O7
    CROSS REFERENCES
    918768 logo

    canSAR918768

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 298.08
    AlogP 0.64
    HBond donors 1
    HBond acceptors 9
    Atoms 35
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR918768.