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730958-61-9

730958-61-9 structural image
Product Name: 2-(FURAN-2-CARBONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula: C22H16F3NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 30.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 271.27 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 271.08445790 g/mol
Monoisotopic Mass 271.08445790 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 397
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