Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30178766

Structure

InChI Key GKACYEDEVWNLBG-UHFFFAOYSA-N
Smiles CCCCCOc1cccnc1
InChI
InChI=1S/C10H15NO/c1-2-3-4-8-12-10-6-5-7-11-9-10/h5-7,9H,2-4,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 2.65
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 22.12
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 24027-10-9
NORMAN SUSDAT
PubChem 90346
ChemSpider 81566.0