Molecule

ID:79481

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂
Molecular Mass
214.34588
Exact Mass
214.1721507
Charge
0
InChI
InChI=1S/C16H22/c1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16/h2,11-14H,3,5-10H2,1H3
InChIKey
FPSPMWQTTQJAGI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)C#C
Isomeric Smiles
C#Cc1ccc(cc1)CCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.749483
LogD (pH = 7.4)
5.749483
Log P
5.749483
Molar Refractivity
68.4785
Polarizability
27.658655
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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