Molecule

ID:7970

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄
Molecular Mass
164.1002728
Exact Mass
164.02491301
Charge
0
InChI
InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey
BGVGHYOIWIALFF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(F)(F)F
Isomeric Smiles
c1(c(cccc1)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9937963
LogD (pH = 7.4)
2.9937963
Log P
2.9937963
Molar Refractivity
32.2481
Polarizability
11.403482
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
Navigation