Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KM2A8T7JT2
EPA CompTox DTXSID30192341

Structure

InChI Key JUADTOTVJUYCRQ-UHFFFAOYSA-N
Smiles CC(C1CCCCC1)C(=O)Cl
InChI
InChI=1S/C9H15ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15Cl1O1
Molecular Weight 174.08
AlogP 2.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 39098-75-4
NORMAN SUSDAT
FDA SRS KM2A8T7JT2
PubChem 2734098
ChemSpider 63927.0