Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H93GX8T72G
EPA CompTox DTXSID40199129

Structure

InChI Key SPHMMZWBAYSJSG-UHFFFAOYSA-N
Smiles CCNC(=O)C(CC)(CC)C(C)C
InChI
InChI=1S/C11H23NO/c1-6-11(7-2,9(4)5)10(13)12-8-3/h9H,6-8H2,1-5H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23N1O1
Molecular Weight 185.18
AlogP 3.43
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 32.59
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 51115-73-2
NORMAN SUSDAT
FDA SRS H93GX8T72G
PubChem 3016601
ChemSpider 2284524.0