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860611-80-9

860611-80-9 structural image
Product Name: 2-[2-(4-BENZYLPIPERAZINO)ETHYL]-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
Formula: C21H24N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 396.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 396.17975526 g/mol
Monoisotopic Mass 396.17975526 g/mol
Topological Polar Surface Area 90.6 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 570
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

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