Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A9W1Q28TT2

Structure

InChI Key ZWNGSOLJLMBZFZ-UHFFFAOYSA-N
Smiles Cc1oncc1C(=O)N2CCCCC2
InChI
InChI=1S/C10H14N2O2/c1-8-9(7-11-14-8)10(13)12-5-3-2-4-6-12/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O2
Molecular Weight 194.11
AlogP 1.61
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 46.34
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 99803-72-2
NORMAN SUSDAT
FDA SRS A9W1Q28TT2