Molecule
ID:98612
General Information
Molecular Formula
C₁₁H₁₀F₆O
Molecular Mass
272.1869192
Exact Mass
272.06358426
Charge
0
InChI
InChI=1S/C11H10F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9,18H,2H2,1H3
InChIKey
MBQJJEHEDHLDBO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Isomeric Smiles
FC(c1cc(cc(c1)C(O)CC)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.325052
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9006903
LogD (pH = 7.4)
3.9006903
Log P
3.9006903
Molar Refractivity
53.7641
Polarizability
19.155611
Polar Surface Area
20.23
Rotatable Bonds
4
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...