Molecule

ID:8050

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₄N₂
Molecular Mass
258.9990328
Exact Mass
257.94157299
Charge
0
InChI
InChI=1S/C6H3BrF4N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
InChIKey
NQXNTMIIWYYOBI-UHFFFAOYSA-N
Canonic Smiles
NNc1c(F)c(F)c(c(c1F)F)Br
Isomeric Smiles
c1(c(c(c(c(c1F)NN)F)F)Br)F
Calculated Properties
JChem
Acid pKa
11.487901
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6242647
LogD (pH = 7.4)
2.642633
Log P
2.7044487
Molar Refractivity
44.2531
Polarizability
15.430078
Polar Surface Area
38.05
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