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  • [Synonyms]
    NCI60_017593
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight377.8188 [g/mol]
    Molecular FormulaC19H20ClNO5
    XLogP3.8
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass377.103
    MonoIsotopic Mass377.103
    Topological Polar Surface Area69.5
    Heavy Atom Count26
    Formal Charge0
    Complexity498
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count2
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[3-chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enylidene]hydroxylamine
    Canonical SMILES: COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=NO)OC
    InChI: InChI=1/C19H20ClNO5/c1-23-15-7-5-12(9-17(15)25-3)14(11-21-22)19(20)13-6-
    8-16(24-2)18(10-13)26-4/h5-11,22H,1-4H3



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