Molecule

ID:54685

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClF₃
Molecular Mass
259.4509296
Exact Mass
257.90587444
Charge
0
InChI
InChI=1S/C7H3BrClF3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChIKey
XPIQQGXRDHXMGQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1C(F)(F)F)Br
Isomeric Smiles
c1(c(c(ccc1)Cl)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2238917
LogD (pH = 7.4)
4.2238917
Log P
4.2238917
Molar Refractivity
44.4593
Polarizability
16.688066
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