Molecule

ID:97802

General Information
Structure
Molecular Formula
C₆H₂BrF₂NO₂
Molecular Mass
237.9863864
Exact Mass
236.92369675
Charge
0
InChI
InChI=1S/C6H2BrF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
InChIKey
IQCPYFIIMNLQNU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1F)Br)F
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)F)Br)F)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9673865
LogD (pH = 7.4)
2.9673865
Log P
2.9673865
Molar Refractivity
40.4341
Polarizability
15.081184
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