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

Structure

InChI Key VZHPEWOXZBDJIY-UHFFFAOYSA-N
Smiles Cc1cc(=O)n(n1C)C(C)C
InChI
InChI=1S/C8H14N2O/c1-6(2)10-8(11)5-7(3)9(10)4/h5-6H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14N2O1
Molecular Weight 154.11
AlogP 1.08
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 26.93
Heavy Atoms 11.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 45121230
ChemSpider 24221997.0