Molecule

ID:100323

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClF₂
Molecular Mass
227.4338864
Exact Mass
225.89964618
Charge
0
InChI
InChI=1S/C6H2BrClF2/c7-3-1-2-4(9)5(8)6(3)10/h1-2H
InChIKey
LVPMWOPCTHLVRH-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1F)Cl)F
Isomeric Smiles
Brc1c(c(c(cc1)F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.631447
LogD (pH = 7.4)
3.631447
Log P
3.631447
Molar Refractivity
38.9184
Polarizability
14.935145
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