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

Structure

InChI Key TYKNIXUIZSBZSO-UHFFFAOYSA-N
Smiles O=C1C(Cl)C2CCC1(C)C2(C)C
InChI
InChI=1/C10H15ClO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15ClO
Molecular Weight 186.08
AlogP 2.62
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 508-29-2
NORMAN SUSDAT
PubChem 101724