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

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0068573

Structure

InChI Key QIBWMVSMTSYUSK-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)c1ccc(cc1)C#N
InChI
InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11N1
Molecular Weight 193.09
AlogP 3.53
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 50670-50-3
NORMAN SUSDAT
PubChem 170889
ChemSpider 149404.0
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