Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00469916

Structure

InChI Key MRQQMVMIANXDKC-UHFFFAOYSA-N
Smiles CCOC(=O)c1cn(C)nc1C(F)F
InChI
InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10F2N2O2
Molecular Weight 204.07
AlogP 1.53
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 44.12
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 141573-95-7
NORMAN SUSDAT
PubChem 11644126
ChemSpider 9818865.0