Molecule

ID:32095

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₄
Molecular Mass
192.1534328
Exact Mass
192.05621314
Charge
0
InChI
InChI=1S/C9H8F4/c1-5-3-4-6(9(2,12)13)8(11)7(5)10/h3-4H,1-2H3
InChIKey
MGAKZEDRQCRYTR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1F)F)C(F)(F)C
Isomeric Smiles
Fc1c(ccc(c1F)C(C)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.409222
LogD (pH = 7.4)
3.409222
Log P
3.409222
Molar Refractivity
41.6378
Polarizability
14.84286
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