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522-11-2

522-11-2 structural image
Product Name: EUDESMINE
Formula: C18H21NO6
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 181.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 347.4 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 6
Exact Mass 347.13688739 g/mol
Monoisotopic Mass 347.13688739 g/mol
Topological Polar Surface Area 94.2 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 447
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Evoxine is an organonitrogen heterocyclic compound, an oxacycle and an organic heterotricyclic compound.