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99102-22-4

99102-22-4 structural image
Product Name: 4-(2-Amino-1H-imidazol-4-yl)-2,3-dibromo-6,7-dihydropyrrolo[2,3-c]azepin-8(1H)-one
Formula: C11H9Br2N5O
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COMPUTED DESCRIPTORS

Molecular Weight 387.03 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 386.91534 g/mol
Monoisotopic Mass 384.91739 g/mol
Topological Polar Surface Area 99.6 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 418
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

PRODUCT INTRODUCTION

description

Stevensine is a natural product found in Axinella corrugata, Axinella verrucosa, and other organisms with data available.