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

Structure

InChI Key PMRMCTRIVCIICU-QDJLDCPTSA-N
Smiles CC(C)/C=C/C=C(/C)C=C
InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-9H,1H2,2-4H3/b7-6+,10-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.13
AlogP 3.33
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 27400-71-1
NORMAN SUSDAT