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163564-84-9

163564-84-9 structural image
Product Name: Agelongine
Formula: C13H11BrN2O4
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COMPUTED DESCRIPTORS

Molecular Weight 339.14 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 337.99022 g/mol
Monoisotopic Mass 337.99022 g/mol
Topological Polar Surface Area 86.1 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 361
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

Pyridinium, 1-[2-[[(4-bromo-1H-pyrrol-2-yl)carbonyl]oxy]ethyl]-3-carboxy-, inner salt is a natural product found in Prosuberites laughlini, Agelas conifera, and other organisms with data available.