Molecule

ID:53902

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂F₃N₂
Molecular Mass
321.9205096
Exact Mass
319.87715683
Charge
0
InChI
InChI=1S/C6H4BrF3N2.BrH/c7-4-2-12-5(11)1-3(4)6(8,9)10;/h1-2H,(H2,11,12);1H
InChIKey
LLPJQMQEEGCMQI-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)C(F)(F)F)Br.Br
Isomeric Smiles
c1(cnc(cc1C(F)(F)F)N)Br.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1060667
LogD (pH = 7.4)
2.166869
Log P
2.167706
Molar Refractivity
42.5115
Polarizability
15.1174755
Polar Surface Area
38.91
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