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750613-28-6

750613-28-6 structural image
Product Name: Benzoic acid, 3-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]-4-methoxy-
Formula: C17H17NO5S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >52.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 347.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 347.08274382 g/mol
Monoisotopic Mass 347.08274382 g/mol
Topological Polar Surface Area 92.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 558
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