Molecule

ID:51454

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrF₃
Molecular Mass
239.0324496
Exact Mass
237.96049685
Charge
0
InChI
InChI=1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3
InChIKey
TWWUWLMGYSLODU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1Br)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)C)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1332684
LogD (pH = 7.4)
4.1332684
Log P
4.1332684
Molar Refractivity
44.6957
Polarizability
16.346495
Polar Surface Area
0.0
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