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canSAR2091012
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NAMES
    SMILES
    C#CCOC(=O)N[C@H]1c2ccccc2C[C@H]1O
    InChI
    InChI=1S/C13H13NO3/c1-2-7-17-13(16)14-12-10-6-4-3-5-9(10)8-11(12)15/h1,3-6,11-12,15H,7-8H2,(H,14,16)/t11-,12+/m1/s1
    MOLECULAR FORMULA
    C13H13NO3
    CROSS REFERENCES
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    canSAR2091012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 231.09
    AlogP 1.00
    HBond donors 2
    HBond acceptors 4
    Atoms 30
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2091012.