Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70885922

Structure

InChI Key XYDCNXPXPVLOPD-UHFFFAOYSA-N
Smiles N#CC(N=NC(C)(C)C)(C)CC(OC)(C)C
InChI
InChI=1/C12H23N3O/c1-10(2,3)14-15-12(6,9-13)8-11(4,5)16-7/h8H2,1-7H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23N3O
Molecular Weight 225.18
AlogP 3.33
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 57.74
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 55912-17-9
NORMAN SUSDAT
PubChem 91930