Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q7W1V2C3DJ
EPA CompTox DTXSID5075109

Structure

InChI Key IFTRQJLVEBNKJK-UHFFFAOYSA-N
Smiles CCC1CCCC1
InChI
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14
Molecular Weight 98.11
AlogP 2.59
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1640-89-7
NORMAN SUSDAT
FDA SRS Q7W1V2C3DJ
PubChem 15431
ChemSpider 14686.0