Structure

InChI Key YCYMCMYLORLIJX-SNVBAGLBSA-N
Smile CCCCCC[C@@H](CCC)C(=O)O
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O2
Molecular Weight 186.29
AlogP 3.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Infarction, Middle Cerebral Artery 2 D020244 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3187683
DrugBank DB05343
EPA CompTox DTXSID5048841
FDA SRS F2628ZD0FO
PubChem 208925
SureChEMBL SCHEMBL4365
ZINC ZINC000002509961