Molecule
ID:32099
General Information
Molecular Formula
C₈H₆F₄
Molecular Mass
178.1268528
Exact Mass
178.04056307
Charge
0
InChI
InChI=1S/C8H6F4/c1-8(11,12)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChIKey
NBFFWRAEJCOERY-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1F)C(F)(F)C
Isomeric Smiles
FC(F)(C)c1c(F)c(ccc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8958004
LogD (pH = 7.4)
2.8958004
Log P
2.8958004
Molar Refractivity
36.5966
Polarizability
13.131718
Polar Surface Area
0.0
Rotatable Bonds
1
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...