Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZXW3G2XA7R

Structure

InChI Key IQYAWBKZKZRPEQ-UHFFFAOYSA-N
Smiles COc1ccc2CNC3CCCCC3(C)c2c1
InChI
InChI=1S/C15H21NO/c1-15-8-4-3-5-14(15)16-10-11-6-7-12(17-2)9-13(11)15/h6-7,9,14,16H,3-5,8,10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N1O1
Molecular Weight 231.16
AlogP 3.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 21.26
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 40173-75-9
NORMAN SUSDAT
FDA SRS ZXW3G2XA7R