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179599-16-7

179599-16-7 structural image
Product Name: 2-Benzothiazolepropanenitrile,beta-oxo-(9CI)
Formula: C10H6N2OS
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COMPUTED DESCRIPTORS

Molecular Weight 202.23 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 202.02008399 g/mol
Monoisotopic Mass 202.02008399 g/mol
Topological Polar Surface Area 82 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 283
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