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

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2069284

Structure

InChI Key DLLIPJSMDJCZRF-UHFFFAOYSA-N
Smiles CCc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13N1
Molecular Weight 207.1
AlogP 3.79
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.79
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 58743-75-2
NORMAN SUSDAT
PubChem 93890
ChemSpider 84742.0
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