Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00916495

Structure

InChI Key QUCXLVDIVQWYJR-UHFFFAOYSA-N
Smiles BrC12CC3CC(C)(C1)CC(C)(C3)C2
InChI
InChI=1/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19Br
Molecular Weight 242.07
AlogP 4.13
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 941-37-7
NORMAN SUSDAT
PubChem 98317