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87708-16-5

87708-16-5 structural image
Product Name: BRN 4480560
Formula: C9H10N2O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >36.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 242.25 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 242.03612798 g/mol
Monoisotopic Mass 242.03612798 g/mol
Topological Polar Surface Area 84.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 356
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