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400073-91-8

400073-91-8 structural image
Product Name: 3-(4-CHLOROPHENYL)-2-CYCLOHEXYL-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
Formula: C22H22ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 383.9 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 383.1288213 g/mol
Monoisotopic Mass 383.1288213 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 554
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes