Molecule

ID:32079

General Information
Structure
Molecular Formula
C₈H₆BrF₃
Molecular Mass
239.0324496
Exact Mass
237.96049685
Charge
0
InChI
InChI=1S/C8H6BrF3/c1-8(11,12)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChIKey
TXLFKKQZPURBRK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Br)C(F)(F)C
Isomeric Smiles
c1cc(cc(c1F)Br)C(C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.521851
LogD (pH = 7.4)
3.521851
Log P
3.521851
Molar Refractivity
44.003
Polarizability
16.38354
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