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844834-82-8

844834-82-8 structural image
Product Name: 3-(3-chloro-4-methylphenyl)-2,4,7,8,9,10-hexahydroisochromeno[3,4-f][1,3]benzoxazin-6-one
Formula: C22H20ClNO3
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COMPUTED DESCRIPTORS

Molecular Weight 381.8 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 381.1131712 g/mol
Monoisotopic Mass 381.1131712 g/mol
Topological Polar Surface Area 38.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 635
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