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116817-26-6

116817-26-6 structural image
Product Name: 3-THIOPHENEPROPANAMINE, N,N-DIMETHYL-GAMMA-(1-NAPHTHALENYLOXY)-, ETHANEDIOATE(1:1)
Formula: C21H23NO5S
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COMPUTED DESCRIPTORS

Molecular Weight 401.5 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 401.12969401 g/mol
Monoisotopic Mass 401.12969401 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 407
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes