Molecule

ID:64751

General Information
Structure
Molecular Formula
C₄H₂BrFN₂
Molecular Mass
176.9744832
Exact Mass
175.93853829
Charge
0
InChI
InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKey
ANSMRNCOBLTNBO-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1)Br
Isomeric Smiles
n1c(ncc(c1)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2510406
LogD (pH = 7.4)
1.2510406
Log P
1.2510406
Molar Refractivity
31.0362
Polarizability
11.544012
Polar Surface Area
25.78
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