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108890-90-0

108890-90-0 structural image
Product Name: K-13 (ACE inhib)
Formula: C29H29N3O8
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COMPUTED DESCRIPTORS

Molecular Weight 547.6 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 11
Exact Mass 547.19546489 g/mol
Monoisotopic Mass 547.19546489 g/mol
Topological Polar Surface Area 188 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 922
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes