108796 logo
canSAR108796
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(NC(=O)/C(C#N)=C(\O)C2CC2)ccc1Cl
    InChI
    InChI=1S/C14H13ClN2O2/c1-8-6-10(4-5-12(8)15)17-14(19)11(7-16)13(18)9-2-3-9/h4-6,9,18H,2-3H2,1H3,(H,17,19)/b13-11-
    MOLECULAR FORMULA
    C14H13ClN2O2
    CROSS REFERENCES
    108796 logo

    canSAR108796

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 276.07
    AlogP 3.33
    HBond donors 2
    HBond acceptors 4
    Atoms 32
    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 canSAR108796.