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159325-85-6

159325-85-6 structural image
Product Name: 8-ACETYL-6-HYDROXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOLE 3-OXIDE
Formula: C11H9N3O4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 25.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 247.21 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 247.05930578 g/mol
Monoisotopic Mass 247.05930578 g/mol
Topological Polar Surface Area 90.9 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 637
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