Molecule

ID:18905

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₂O
Molecular Mass
208.9882264
Exact Mass
207.93353316
Charge
0
InChI
InChI=1S/C6H3BrF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
JZAVCMMYGSROJP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1F)F)Br
Isomeric Smiles
c1(c(c(c(cc1)Br)F)F)O
Calculated Properties
JChem
Acid pKa
7.1644483
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.714611
LogD (pH = 7.4)
2.2954223
Log P
2.723837
Molar Refractivity
36.0945
Polarizability
13.612391
Polar Surface Area
20.23
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