Molecule

ID:68909

General Information
Structure
Molecular Formula
C₉H₁₃NO₂
Molecular Mass
167.20502
Exact Mass
167.09462866
Charge
0
InChI
InChI=1S/C9H13NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-6H2
InChIKey
WZWQNWWFCHNJON-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCC2(CC1)OCCO2
Isomeric Smiles
O1CCOC21CCC(CC2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0290279
LogD (pH = 7.4)
1.0290279
Log P
1.0290279
Molar Refractivity
43.7162
Polarizability
17.105152
Polar Surface Area
42.25
Rotatable Bonds
0
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