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canSAR1130575
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NAMES
    SMILES
    O=c1nc(N2CCC3(CC2)SCCS3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12
    InChI
    InChI=1S/C16H14F3N3O3S3/c17-16(18,19)9-7-10-12(11(8-9)22(24)25)28-14(20-13(10)23)21-3-1-15(2-4-21)26-5-6-27-15/h7-8H,1-6H2
    MOLECULAR FORMULA
    C16H14F3N3O3S3
    CROSS REFERENCES
    1130575 logo

    canSAR1130575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.01
    AlogP 4.36
    HBond donors 0
    HBond acceptors 6
    Atoms 42
    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 canSAR1130575.