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canSAR844898
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NAMES
    SMILES
    O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1CN2
    InChI
    InChI=1S/C13H13NO2/c15-13(16)8-4-5-12-11(6-8)10-3-1-2-9(10)7-14-12/h1,3-6,9-10,14H,2,7H2,(H,15,16)/t9-,10-/m1/s1
    MOLECULAR FORMULA
    C13H13NO2
    CROSS REFERENCES
    844898 logo

    canSAR844898

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 215.09
    AlogP 2.47
    HBond donors 2
    HBond acceptors 3
    Atoms 29
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR844898.