Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3065118

Structure

InChI Key KIHGYZTVBURVBA-UHFFFAOYSA-N
Smiles CC(=O)N1C2C(N(C(=O)C)C1=O)N(C(=O)C)C(=O)N2C(=O)C
InChI
InChI=1S/C12H14N4O6/c1-5(17)13-9-10(15(7(3)19)11(13)21)16(8(4)20)12(22)14(9)6(2)18/h9-10H,1-4H3/t9-,10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N4O6
Molecular Weight 310.09
AlogP -0.7
Hydrogen Bond Acceptor 6.0
Polar Surface Area 115.38
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 10543-60-9
NORMAN SUSDAT
PubChem 82717
ChemSpider 74647.0