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304906-01-2

304906-01-2 structural image
Product Name: TIMTEC-BB SBB009864
Formula: C13H12N2O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 34.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 276.31 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 276.05686342 g/mol
Monoisotopic Mass 276.05686342 g/mol
Topological Polar Surface Area 99.2 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 338
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes