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Homecas1189870-26-5

1189870-26-5

1189870-26-5 structural image
Product Name: Tianeptine-d12
Formula: C21H25ClN2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 449.0 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 448.1976771 g/mol
Monoisotopic Mass 448.1976771 g/mol
Topological Polar Surface Area 95.1 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 654
Isotope Atom Count 12
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes