1-NAPHTHALENECARBONITRILE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2AS1LZ61HD
EPA CompTox DTXSID4058940

Structure

InChI Key YJMNOKOLADGBKA-UHFFFAOYSA-N
Smiles N#CC1=CC=CC2=CC=CC=C12
InChI
InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H7N1
Molecular Weight 153.06
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 86-53-3
NORMAN SUSDAT
FDA SRS 2AS1LZ61HD
PubChem 6846
ChemSpider 6585.0
CONTENTS