Structure

InChI Key SHXWCVYOXRDMCX-UHFFFAOYSA-N
Smile CNC(C)Cc1ccc2c(c1)OCO2
InChI
InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO2
Molecular Weight 193.25
AlogP 1.57
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 30.49
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stress Disorders, Post-Traumatic 3 D013313 ClinicalTrials
Anxiety 2 D001007 ClinicalTrials
Anorexia Nervosa 2 D000856 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Alcoholism 1 D000437 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Child Development Disorders, Pervasive 0 D002659 ClinicalTrials

Cross References

Resources Reference
ChEBI 1391
ChEMBL CHEMBL43048
DrugBank DB01454
EPA CompTox DTXSID90860791
FDA SRS KE1SEN21RM
Guide to Pharmacology 4574
KEGG C07577
PharmGKB PA131887008
PubChem 1615
SureChEMBL SCHEMBL44210