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

Structure

InChI Key FYVMBPXFPFAECB-ZETCQYMHSA-N
Smiles C[NH+]1CCC[C@H]1CCO
InChI
InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N1O1
Molecular Weight 129.12
AlogP 0.46
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 67004-64-2
NORMAN SUSDAT