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Homecas462068-47-9

462068-47-9

462068-47-9 structural image
Product Name: CHEMBRDG-BB 7433129
Formula: C13H13NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >37.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 247.31 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 247.06669983 g/mol
Monoisotopic Mass 247.06669983 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 285
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes