Structure

InChI Key XXEPPPIWZFICOJ-UHFFFAOYSA-N
Smile CCN(CC)C(C)C(=O)c1ccccc1
InChI
InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO
Molecular Weight 205.3
AlogP 2.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 4 D009765 ClinicalTrials

Cross References

Resources Reference
ChEBI 4530
ChEMBL CHEMBL1194666
DrugBank DB00937
DrugCentral 874
EPA CompTox DTXSID6022929
FDA SRS Q94YYU22B8
Human Metabolome Database HMDB0015072
Guide to Pharmacology 7161
KEGG C06954
PharmGKB PA164778098
SureChEMBL SCHEMBL27330