Molecule
ID:10328
General Information
Molecular Formula
C₁₀H₁₉F₃O
Molecular Mass
212.2524696
Exact Mass
212.13879989
Charge
0
InChI
InChI=1S/C10H19F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9,14H,2-8H2,1H3
InChIKey
FZHCYMPYGWJDQU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(C(F)(F)F)O
Isomeric Smiles
CCCCCCCCC(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
11.408001
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.043028
LogD (pH = 7.4)
4.042986
Log P
4.0430284
Molar Refractivity
50.2602
Polarizability
19.06112
Polar Surface Area
20.23
Rotatable Bonds
8
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...