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  • [Synonyms]
    3-(9-Acridinylamino)-N-(2-(9-acridinylamino)ethyl)propanamide
    Propanamide, 3-(9-acridinylamino)-N-(2-(9-acridinylamino)ethyl)-
    94731-71-2

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight485.57898 [g/mol]
    Molecular FormulaC31H27N5O
    XLogP5.8
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count8
    Tautomer Count8
    Exact Mass485.221561
    MonoIsotopic Mass485.221561
    Topological Polar Surface Area78.9
    Heavy Atom Count37
    Formal Charge0
    Complexity703
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(acridin-9-ylamino)-N-[2-(acridin-9-ylamino)ethyl]propanamide
    Canonical SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)NCCNC4=C5C=CC=CC5=NC6=CC=CC=C64
    InChI: InChI=1/C31H27N5O/c37-29(17-18-33-30-21-9-1-5-13-25(21)35-26-14-6-2-10-
    22(26)30)32-19-20-34-31-23-11-3-7-15-27(23)36-28-16-8-4-12-24(28)31/h1-
    16H,17-20H2,(H,32,37)(H,33,35)(H,34,36)/f/h32-34H



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