Molecule

ID:66090

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₅
Molecular Mass
182.090736
Exact Mass
182.0154912
Charge
0
InChI
InChI=1S/C7H3F5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKey
PQJOLFTWPSZESR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(F)(F)F
Isomeric Smiles
C(c1c(cc(cc1)F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1364982
LogD (pH = 7.4)
3.1364982
Log P
3.1364982
Molar Refractivity
32.4645
Polarizability
11.385748
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
暂无数据
点击上传数据
References
Bioactivity
Navigation