Molecule

ID:6856

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrFNO₂
Molecular Mass
219.9959232
Exact Mass
218.93311856
Charge
0
InChI
InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKey
XRXNWKIKQFEOGO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])Br
Isomeric Smiles
c1(cc(c(cc1)Br)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8246846
LogD (pH = 7.4)
2.8246846
Log P
2.8246846
Molar Refractivity
40.2177
Polarizability
15.111528
Polar Surface Area
43.14
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