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98640-66-5

98640-66-5 structural image
Product Name: JMV 236 (BOC-(NLE28,31)CCK-7 SYNTHETIC > 97
Formula: C52H69N9O15S
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COMPUTED DESCRIPTORS

Molecular Weight 1092.2 g/mol
XLogP3 4
Hydrogen Bond Donor Count 11
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 32
Exact Mass 1091.46338370 g/mol
Monoisotopic Mass 1091.46338370 g/mol
Topological Polar Surface Area 381 Ų
Heavy Atom Count 77
Formal Charge 0
Complexity 2110
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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