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canSAR562084
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NAMES
    SMILES
    O=C([O-])c1c2c(nc3ccc(F)cc13)-c1sc(-c3ccccc3)cc1CC2.[Na+]
    InChI
    InChI=1S/C22H14FNO2S.Na/c23-14-7-9-17-16(11-14)19(22(25)26)15-8-6-13-10-18(12-4-2-1-3-5-12)27-21(13)20(15)24-17;/h1-5,7,9-11H,6,8H2,(H,25,26);/q;+1/p-1
    MOLECULAR FORMULA
    C22H13FNNaO2S
    CROSS REFERENCES
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    canSAR562084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.05
    AlogP 1.24
    HBond donors 0
    HBond acceptors 3
    Atoms 41
    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 canSAR562084.