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canSAR1149777
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NAMES
    SMILES
    O=C1Nc2c(Cl)cccc2[C@]12ON=C(c1ccc([N+](=O)[O-])cc1)[C@H]2c1ccccc1
    InChI
    InChI=1S/C22H14ClN3O4/c23-17-8-4-7-16-20(17)24-21(27)22(16)18(13-5-2-1-3-6-13)19(25-30-22)14-9-11-15(12-10-14)26(28)29/h1-12,18H,(H,24,27)/t18-,22-/m1/s1
    MOLECULAR FORMULA
    C22H14ClN3O4
    CROSS REFERENCES
    1149777 logo

    canSAR1149777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.07
    AlogP 4.61
    HBond donors 1
    HBond acceptors 7
    Atoms 44
    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 canSAR1149777.