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750558-86-2

750558-86-2 structural image
Product Name: Ro 116-9132/238
Formula: C28H40Cl2N3O4+
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COMPUTED DESCRIPTORS

Molecular Weight 553.5 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 10
Exact Mass 552.2395872 g/mol
Monoisotopic Mass 552.2395872 g/mol
Topological Polar Surface Area 68.8 Ų
Heavy Atom Count 37
Formal Charge 1
Complexity 693
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes