Molecule

ID:20842

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-3-9(7-11-5-1)13-8-10-4-2-6-12-10/h9-11H,1-8H2
InChIKey
JUEVOHUEVOKSRJ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)OCC1CCCO1
Isomeric Smiles
N1CC(OCC2OCCC2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5461335
LogD (pH = 7.4)
-1.5578177
Log P
0.64429957
Molar Refractivity
51.2028
Polarizability
20.602833
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation