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117994-64-6

117994-64-6 structural image
Product Name: etoxadrol-2-isothiocyanate
Formula: C17H22N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 318.4 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 318.14019912 g/mol
Monoisotopic Mass 318.14019912 g/mol
Topological Polar Surface Area 74.9 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 427
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes