Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03CB02
UNII: J3Z5SRI26Z

Structure

InChI Key OEHAYUOVELTAPG-UHFFFAOYSA-N
Smile CNC(C)Cc1ccccc1OC
InChI
InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17NO
Molecular Weight 179.26
AlogP 1.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134817
ChEMBL CHEMBL2010507
DrugBank DB13624
DrugCentral 1755
EPA CompTox DTXSID0023292
FDA SRS J3Z5SRI26Z
Human Metabolome Database HMDB0041930
PubChem 4117
SureChEMBL SCHEMBL218289