Molecule

ID:9085

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₂O
Molecular Mass
218.1988264
Exact Mass
218.05432132
Charge
0
InChI
InChI=1S/C13H8F2O/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
FRHMSTHFVFIPCO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(=O)c1ccccc1
Isomeric Smiles
c1ccccc1C(=O)c1ccc(F)cc1F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7180028
LogD (pH = 7.4)
3.7180028
Log P
3.7180028
Molar Refractivity
57.0663
Polarizability
21.31025
Polar Surface Area
17.07
Rotatable Bonds
2
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