Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YXWIRQHVEQIJOV-UHFFFAOYSA-N
Smiles CCc1cccc(C)c1NC(C)COC
InChI
InChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N1O1
Molecular Weight 207.16
AlogP 3.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 21.26
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 786711-55-5
NORMAN SUSDAT
PubChem 20341679
ChemSpider 15288924.0