987247 logo
canSAR987247
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C16H19N3O4/c20-18(21)13-1-2-14(15(6-13)19(22)23)17-16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,17H,3-5,7-9H2
    MOLECULAR FORMULA
    C16H19N3O4
    CROSS REFERENCES
    987247 logo

    canSAR987247

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 317.14
    AlogP 3.88
    HBond donors 1
    HBond acceptors 7
    Atoms 42
    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 canSAR987247.