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175135-23-6

175135-23-6 structural image
Product Name: 2-(N-PENTYLTHIO)NICOTINIC ACID
Formula: C11H15NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >33.8 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 225.31 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 225.08234989 g/mol
Monoisotopic Mass 225.08234989 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 199
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