Molecule

ID:7139

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrClF₄
Molecular Mass
291.4679728
Exact Mass
289.91210269
Charge
0
InChI
InChI=1S/C8H4BrClF4/c9-3-4-1-5(8(12,13)14)2-6(10)7(4)11/h1-2H,3H2
InChIKey
SPNVJHWULHTZHG-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(cc(c1F)Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(c(c1)CBr)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3705783
LogD (pH = 7.4)
4.3705783
Log P
4.3705783
Molar Refractivity
49.9033
Polarizability
18.337229
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