[1,1'-BIPHENYL]-4-CARBONITRILE, 4'-(HEXYLOXY)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6068307

Structure

InChI Key YUYXUPYNSOFWFV-UHFFFAOYSA-N
Smiles CCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N1O1
Molecular Weight 279.16
AlogP 5.18
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 33.02
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 41424-11-7
NORMAN SUSDAT
PubChem 162465
ChemSpider 142645.0
CONTENTS