Molecule
ID:99297
General Information
Molecular Formula
C₂H₂BrFO₂
Molecular Mass
156.9384832
Exact Mass
155.92221952
Charge
0
InChI
InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
ICTXGKNZADORBH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Br)F
Isomeric Smiles
BrC(C(=O)O)F
Calculated Properties
JChem
Acid pKa
1.6860799
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9925303
LogD (pH = 7.4)
-3.1929073
Log P
0.39479104
Molar Refractivity
20.5176
Polarizability
8.25282
Polar Surface Area
37.3
Rotatable Bonds
1
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
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...