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53749-61-4

53749-61-4 structural image
Product Name: SUBSTANCE P (2-11)
Formula: C57H86N14O12S
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COMPUTED DESCRIPTORS

Molecular Weight 1191.4 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 37
Exact Mass 1190.62703541 g/mol
Monoisotopic Mass 1190.62703541 g/mol
Topological Polar Surface Area 446 Ų
Heavy Atom Count 84
Formal Charge 0
Complexity 2230
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes