Molecule

ID:8591

General Information
Structure
Molecular Formula
C₆H₁₁FO₂
Molecular Mass
134.1487432
Exact Mass
134.07430781
Charge
0
InChI
InChI=1S/C6H11FO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChIKey
FZXXGBGMLALCIH-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)CF
Isomeric Smiles
O=C(CF)OCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.320291
LogD (pH = 7.4)
1.320291
Log P
1.320291
Molar Refractivity
31.2965
Polarizability
12.341797
Polar Surface Area
26.3
Rotatable Bonds
5
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