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117080-36-1

117080-36-1 structural image
Product Name: AKOS BBS-00003514
Formula: C13H9BrN4S
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COMPUTED DESCRIPTORS

Molecular Weight 333.21 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 331.97313 g/mol
Monoisotopic Mass 331.97313 g/mol
Topological Polar Surface Area 72.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 373
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