Molecule
ID:111976
General Information
Molecular Formula
C₁₁H₁₈O
Molecular Mass
166.26002
Exact Mass
166.1357652
Charge
0
InChI
InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3
InChIKey
VGECIEOJXLMWGO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC1=CCCC1=O
Isomeric Smiles
CCCCCCC1=CCCC1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.659843
LogD (pH = 7.4)
3.659843
Log P
3.659843
Molar Refractivity
52.1018
Polarizability
20.105305
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...