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145682-86-6

145682-86-6 structural image
Product Name: COCAETHYLENE-D5, DRUG STANDARD SOLUTION
Formula: C18H18D5NO4
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COMPUTED DESCRIPTORS

Molecular Weight 322.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 322.19409194 g/mol
Monoisotopic Mass 322.19409194 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 446
Isotope Atom Count 5
Defined Atom Stereocenter Count 4
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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