Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YS93LV32G3
EPA CompTox DTXSID0060353

Structure

InChI Key QKIDBCKIVIQWLL-UHFFFAOYSA-N
Smiles CN(C(=O)C)c1c(C)cccc1
InChI
InChI=1S/C10H13NO/c1-8-6-4-5-7-10(8)11(3)9(2)12/h4-7H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N1O1
Molecular Weight 163.1
AlogP 1.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 573-26-2
NORMAN SUSDAT
FDA SRS YS93LV32G3
PubChem 68451
ChemSpider 61728.0