1149331 logo
canSAR1149331
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)C/C(C)=N/NC(=O)Nc1ccc(C)cc1
    InChI
    InChI=1S/C13H17N3O2/c1-9-4-6-12(7-5-9)14-13(18)16-15-10(2)8-11(3)17/h4-7H,8H2,1-3H3,(H2,14,16,18)/b15-10+
    MOLECULAR FORMULA
    C13H17N3O2
    CROSS REFERENCES
    1149331 logo

    canSAR1149331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 247.13
    AlogP 2.47
    HBond donors 2
    HBond acceptors 5
    Atoms 35
    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 canSAR1149331.