Molecule

ID:9235

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁F₃O
Molecular Mass
168.1568496
Exact Mass
168.07619963
Charge
0
InChI
InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2
InChIKey
BGAGPUHWVOHHTP-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCC1C(F)(F)F
Isomeric Smiles
C1(C(CCCC1)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
14.661535
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8329741
LogD (pH = 7.4)
1.832974
Log P
1.8329741
Molar Refractivity
34.528
Polarizability
13.002485
Polar Surface Area
20.23
Rotatable Bonds
1
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