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4425-23-4

4425-23-4 structural image
Product Name: 7,8,9,10-tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
Formula: C13H14N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2101 2101 2101

COMPUTED DESCRIPTORS

Molecular Weight 214.26 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 214.110613074 g/mol
Monoisotopic Mass 214.110613074 g/mol
Topological Polar Surface Area 32.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 324
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