Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00239575

Structure

InChI Key DDOZFENEPXDBJR-UHFFFAOYSA-N
Smiles CC(C)CC(C)(C)C(=O)N(C)C
InChI
InChI=1S/C10H21NO/c1-8(2)7-10(3,4)9(12)11(5)6/h8H,7H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O1
Molecular Weight 171.16
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 93762-17-5
NORMAN SUSDAT
PubChem 3022208
ChemSpider 2288774.0