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

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5069332

Structure

InChI Key GLGZJMAYDWXROS-UHFFFAOYSA-N
Smiles CCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h11-18H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29N1
Molecular Weight 319.23
AlogP 6.91
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 23.79
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 59454-35-2
NORMAN SUSDAT
PubChem 101061
ChemSpider 91306.0
CONTENTS