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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight238.2447 [g/mol]
    Molecular FormulaC13H10N4O
    XLogP2.8
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count3
    Tautomer Count3
    Exact Mass238.085461
    MonoIsotopic Mass238.085461
    Topological Polar Surface Area63.3
    Heavy Atom Count18
    Formal Charge0
    Complexity291
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-(pyridin-4-ylmethylideneamino)-1,3-benzoxazol-2-amine
    Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)NN=CC3=CC=NC=C3
    InChI: InChI=1/C13H10N4O/c1-2-4-12-11(3-1)16-13(18-12)17-15-9-10-5-7-14-8-6-10/
    h1-9H,(H,16,17)/f/h17H



.171875