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39492-01-8

39492-01-8 structural image
Product Name: GABEXATE
Formula: C16H23N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 321.37 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 321.16885622 g/mol
Monoisotopic Mass 321.16885622 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 400
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

4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester is a benzoate ester.