Molecule

ID:75543

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrCl
Molecular Mass
205.47954
Exact Mass
203.93413987
Charge
0
InChI
InChI=1S/C7H6BrCl/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
InChIKey
ZAUOWBCSUDVVQT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)cccc1Br
Isomeric Smiles
Clc1c(cccc1Br)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8594644
LogD (pH = 7.4)
3.8594644
Log P
3.8594644
Molar Refractivity
43.5268
Polarizability
16.812637
Polar Surface Area
0.0
Rotatable Bonds
0
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