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80407-52-9

80407-52-9 structural image
Product Name: 1-(4-CARBAMOYLPHENYL)-5-MERCAPTOTETRAZOLE
Formula: C8H7N5OS
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COMPUTED DESCRIPTORS

Molecular Weight 221.24 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 221.03713104 g/mol
Monoisotopic Mass 221.03713104 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 310
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