Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z7M35JLL5U
EPA CompTox DTXSID8059423

Structure

InChI Key WSULSMOGMLRGKU-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H37Br1
Molecular Weight 332.21
AlogP 7.64
Number of Rotational Bond 16.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 112-89-0
NORMAN SUSDAT
FDA SRS Z7M35JLL5U
PubChem 8218
ChemSpider 7926.0