Molecule

ID:53667

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrF₃O₃
Molecular Mass
285.0147696
Exact Mass
283.92959065
Charge
0
InChI
InChI=1S/C8H4BrF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/h1-3H,(H,13,14)
InChIKey
LMFGPGVCUFRLQC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1OC(F)(F)F)Br
Isomeric Smiles
C(=O)(c1c(cc(cc1)Br)OC(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.4858608
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.825429
LogD (pH = 7.4)
0.45113292
Log P
3.830693
Molar Refractivity
44.0073
Polarizability
18.06249
Polar Surface Area
46.53
Rotatable Bonds
3
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