Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10976681

Structure

InChI Key MMJZYLSOVDKRTC-UHFFFAOYSA-N
Smiles O=C(Cl)C1C2CCC(C2)C1(C)C
InChI
InChI=1/C10H15ClO/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15ClO
Molecular Weight 186.08
AlogP 2.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 61175-88-0
NORMAN SUSDAT
PubChem 6454141