5-METHYLQUINOLINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64960II964
EPA CompTox DTXSID40227431

Structure

InChI Key LMYVCXSKCQSIEQ-UHFFFAOYSA-N
Smiles Cc1c2cccnc2ccc1
InChI
InChI=1S/C10H9N/c1-8-4-2-6-10-9(8)5-3-7-11-10/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1
Molecular Weight 143.07
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7661-55-4
NORMAN SUSDAT
FDA SRS 64960II964
PubChem 24312
ChemSpider 22730.0
CONTENTS