Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CKL3Z8PQ4A
EPA CompTox DTXSID20188733

Structure

InChI Key NHIDGVQVYHCGEK-UHFFFAOYSA-N
Smiles C=CCC1CCCC1
InChI
InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14
Molecular Weight 110.11
AlogP 2.75
Number of Rotational Bond 2.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 3524-75-2
NORMAN SUSDAT
FDA SRS CKL3Z8PQ4A
PubChem 77059
ChemSpider 69505.0