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450352-64-4

450352-64-4 structural image
Product Name: 1-(2-Nitrophenyl)-[1,4]diazepane
Formula: C11H15N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 221.26 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 221.116426730 g/mol
Monoisotopic Mass 221.116426730 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 242
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