Structure

InChI Key LMOINURANNBYCM-UHFFFAOYSA-N
Smile CC(C)NCC(O)c1cc(O)cc(O)c1
InChI
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17NO3
Molecular Weight 211.26
AlogP 1.13
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 83329
ChEMBL CHEMBL776
DrugBank DB00816
DrugCentral 1720
EPA CompTox DTXSID8048529
FDA SRS 53QOG569E0
Human Metabolome Database HMDB0014954
Guide to Pharmacology 7250
KEGG C07144
PharmGKB PA450390
PubChem 4086
SureChEMBL SCHEMBL4270