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canSAR1014515
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NAMES
    SMILES
    S=C(N/N=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1
    InChI
    InChI=1S/C18H14ClN3S/c19-15-8-10-16(11-9-15)21-18(23)22-20-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H2,21,22,23)/b20-12+
    MOLECULAR FORMULA
    C18H14ClN3S
    CROSS REFERENCES
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    canSAR1014515

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.06
    AlogP 4.81
    HBond donors 2
    HBond acceptors 3
    Atoms 37
    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 canSAR1014515.