Molecule

ID:66210

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClF₂N
Molecular Mass
242.4485264
Exact Mass
240.91054522
Charge
0
InChI
InChI=1S/C6H3BrClF2N/c7-4-1-3(6(9)10)2-11-5(4)8/h1-2,6H
InChIKey
GBCWHAQVDBVKOL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc(c(c1)Br)Cl)F
Isomeric Smiles
c1(c(cc(cn1)C(F)F)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7376359
LogD (pH = 7.4)
2.7376359
Log P
2.7376359
Molar Refractivity
42.474
Polarizability
16.016014
Polar Surface Area
12.89
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