Molecule

ID:98748

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₂N
Molecular Mass
193.9768864
Exact Mass
192.93386751
Charge
0
InChI
InChI=1S/C5H2BrF2N/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKey
SCRAIOJQLNXLKL-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)Br)F
Isomeric Smiles
n1cc(cc(c1F)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2036605
LogD (pH = 7.4)
2.2036605
Log P
2.2036605
Molar Refractivity
32.9714
Polarizability
12.15033
Polar Surface Area
12.89
Rotatable Bonds
0
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