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111810-18-5

111810-18-5 structural image
Product Name: 2'''-hydroxychlorothricin
Formula: C50H63ClO17
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COMPUTED DESCRIPTORS

Molecular Weight 971.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 9
Exact Mass 970.3753782 g/mol
Monoisotopic Mass 970.3753782 g/mol
Topological Polar Surface Area 243 Ų
Heavy Atom Count 68
Formal Charge 0
Complexity 2040
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 17
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes