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73733-72-9

73733-72-9 structural image
Product Name: 1-benzyl-4-isothiocyanatopiperidine
Formula: C13H16N2S
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COMPUTED DESCRIPTORS

Molecular Weight 232.35 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 232.10341969 g/mol
Monoisotopic Mass 232.10341969 g/mol
Topological Polar Surface Area 47.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 247
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes