Molecule
ID:93544
General Information
Molecular Formula
C₂HBrFN
Molecular Mass
137.9384432
Exact Mass
136.92763926
Charge
0
InChI
InChI=1S/C2HBrFN/c3-2(4)1-5/h2H
InChIKey
PABLWEPPFMSACN-UHFFFAOYSA-N
Canonic Smiles
FC(C#N)Br
Isomeric Smiles
BrC(C#N)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.37652463
LogD (pH = 7.4)
0.37652463
Log P
0.37652463
Molar Refractivity
19.4969
Polarizability
7.363136
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
Loading...
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...