Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50229401

Structure

InChI Key FVBSVZZRWQOUPT-ZIAGYGMSSA-N
Smiles CC1CNCC(C)OCCOCCOCCOCCO1
InChI
InChI=1S/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3/t13-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H29N1O5
Molecular Weight 291.2
AlogP 0.45
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 58.18
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 78946-83-5
NORMAN SUSDAT
PubChem 44149956
ChemSpider 21163262.0