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854372-77-3

854372-77-3 structural image
Product Name: (1,2,4-Triazol-4-yl) Itraconazole
Formula: C35H38Cl2N8O4
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COMPUTED DESCRIPTORS

Molecular Weight 705.6 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 11
Exact Mass 704.2393071 g/mol
Monoisotopic Mass 704.2393071 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 49
Formal Charge 0
Complexity 1110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes