Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GT6T7ST5PU
EPA CompTox DTXSID00174619

Structure

InChI Key VMRYMOMQCYSPHS-UHFFFAOYSA-N
Smiles OCCN1CCCCCC1
InChI
InChI=1S/C8H17NO/c10-8-7-9-5-3-1-2-4-6-9/h10H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1O1
Molecular Weight 143.13
AlogP 0.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 20603-00-3
NORMAN SUSDAT
FDA SRS GT6T7ST5PU
PubChem 88615
ChemSpider 79953.0