Molecule

ID:97333

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₄O
Molecular Mass
220.1635328
Exact Mass
220.05112776
Charge
0
InChI
InChI=1S/C10H8F4O/c1-2-8(15)9-6(10(12,13)14)4-3-5-7(9)11/h3-5H,2H2,1H3
InChIKey
QBQRTQNHRAIOPE-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1c(F)cccc1C(F)(F)F
Isomeric Smiles
Fc1c(c(ccc1)C(F)(F)F)C(=O)CC
Calculated Properties
JChem
Acid pKa
15.351566
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2519796
LogD (pH = 7.4)
3.2519796
Log P
3.2519796
Molar Refractivity
47.2778
Polarizability
16.921652
Polar Surface Area
17.07
Rotatable Bonds
3
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