Structure

InChI Key ZEHYJZXQEQOSON-AATRIKPKSA-N
Smile C#CC(O)(/C=C/Cl)CC
InChI
InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9ClO
Molecular Weight 144.6
AlogP 1.51
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR GABA-A receptor; anion channel positive modulator ISBN PubMed

Cross References

Resources Reference
CAS NUMBER 113-18-8
ChEMBL CHEMBL591
DrugBank DB00189
FDA SRS 6EIM3851UZ
Guide to Pharmacology 7180
KEGG C07833
PubChem 5281077
SureChEMBL SCHEMBL113589