Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T5RZR9X7G8
EPA CompTox DTXSID70191419

Structure

InChI Key JLYJJRHBGXOWSQ-UHFFFAOYSA-N
Smiles CCOCCNc1ccccc1
InChI
InChI=1S/C10H15NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 2.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 21.26
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 38004-08-9
NORMAN SUSDAT
FDA SRS T5RZR9X7G8
PubChem 3015953
ChemSpider 2283988.0