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886366-79-6

886366-79-6 structural image
Product Name: 2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPIN-7-YLAMINE
Formula: C9H13N3
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COMPUTED DESCRIPTORS

Molecular Weight 163.22 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 163.110947427 g/mol
Monoisotopic Mass 163.110947427 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 149
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