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175203-17-5

175203-17-5 structural image
Product Name: 2-((2-[(4-CHLOROPHENYL)SULFONYL]ETHYL)THIO)NICOTINIC ACID
Formula: C14H12ClNO4S2
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COMPUTED DESCRIPTORS

Molecular Weight 357.8 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 356.9896279 g/mol
Monoisotopic Mass 356.9896279 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 472
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