[1,1'-BIPHENYL]-4-CARBONITRILE, 4'-NONYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0068787

Structure

InChI Key REDSMJNHKIHBTE-UHFFFAOYSA-N
Smiles CCCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27N1
Molecular Weight 305.21
AlogP 6.52
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 23.79
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 52709-85-0
NORMAN SUSDAT
PubChem 104290
ChemSpider 94150.0
CONTENTS