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1434-54-4

1434-54-4 structural image
Product Name: 5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
Formula: C22H31NO2
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COMPUTED DESCRIPTORS

Molecular Weight 341.5 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 341.235479232 g/mol
Monoisotopic Mass 341.235479232 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 673
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
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

Pregnenolone 16alpha-carbonitrile is an aliphatic nitrile. It is functionally related to a pregnenolone.