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canSAR1062443
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NAMES
    SMILES
    O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(C(F)(F)F)cn1
    InChI
    InChI=1S/C16H8F3N3O3S3/c17-16(18,19)9-1-4-13(20-7-9)27-11-3-2-10(22(24)25)5-8(11)6-12-14(23)21-15(26)28-12/h1-7H,(H,21,23,26)/b12-6-
    MOLECULAR FORMULA
    C16H8F3N3O3S3
    CROSS REFERENCES
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    canSAR1062443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.97
    AlogP 4.65
    HBond donors 1
    HBond acceptors 6
    Atoms 36
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1062443.