Molecule

ID:32081

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉BrF₂
Molecular Mass
283.1113664
Exact Mass
281.98556873
Charge
0
InChI
InChI=1S/C13H9BrF2/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H
InChIKey
ZYDAIIAPFHRCLV-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1C(c1ccccc1)(F)F
Isomeric Smiles
c1c(c(ccc1)C(c1ccccc1)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0898666
LogD (pH = 7.4)
5.0898666
Log P
5.0898666
Molar Refractivity
63.485
Polarizability
23.98259
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
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