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1295509-64-6

1295509-64-6 structural image
Product Name: (8α,9S)- 9-isothiocyanato-6'-Methoxy-Cinchonan
Formula: C21H23N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 365.5 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 365.15618354 g/mol
Monoisotopic Mass 365.15618354 g/mol
Topological Polar Surface Area 69.8 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 564
Isotope Atom Count 0
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