Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SQT2TYW2PR
EPA CompTox DTXSID40183583

Structure

InChI Key PITHYUDHKJKJNQ-UHFFFAOYSA-N
Smiles CCCC(CCC)C(=O)Cl
InChI
InChI=1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15Cl1O1
Molecular Weight 162.08
AlogP 2.97
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2936-08-5
NORMAN SUSDAT
FDA SRS SQT2TYW2PR
PubChem 76240
ChemSpider 68720.0