Molecule

ID:7567

General Information
Structure
Molecular Formula
C₈H₅BrF₄
Molecular Mass
257.0229128
Exact Mass
255.95107504
Charge
0
InChI
InChI=1S/C8H5BrF4/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2
InChIKey
LCVWAXYGYMZJER-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(F)cc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1)CBr)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7665336
LogD (pH = 7.4)
3.7665336
Log P
3.7665336
Molar Refractivity
45.0985
Polarizability
16.29419
Polar Surface Area
0.0
Rotatable Bonds
2
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