Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10916082

Structure

InChI Key CCDZNBDQBSSRAO-UHFFFAOYSA-N
Smiles O=C=NC1CCC(C)C(C1)CC2CCCCC2N=C=O
InChI
InChI=1/C16H24N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h12-16H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2O2
Molecular Weight 276.18
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 58.86
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 94213-28-2
NORMAN SUSDAT
PubChem 3024035