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1005119-26-5

1005119-26-5 structural image
Product Name: 5-(2-CHLORO-6-FLUOROPHENYL)-3-HYDROXY-2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-2-CYCLOHEXEN-1-ONE
Formula: C23H20ClFN4O2
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COMPUTED DESCRIPTORS

Molecular Weight 438.9 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 438.1258817 g/mol
Monoisotopic Mass 438.1258817 g/mol
Topological Polar Surface Area 80 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 722
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes