Molecule

ID:94141

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₄O₂
Molecular Mass
287.0058328
Exact Mass
285.92525422
Charge
0
InChI
InChI=1S/C8H3BrF4O2/c9-4-1-2-6-5(3-4)7(10,11)15-8(12,13)14-6/h1-3H
InChIKey
FUAIJNZZMOZHOS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(F)(F)OC(O2)(F)F
Isomeric Smiles
O1C(OC(c2cc(ccc12)Br)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.639563
LogD (pH = 7.4)
4.639563
Log P
4.639563
Molar Refractivity
43.1866
Polarizability
17.389013
Polar Surface Area
18.46
Rotatable Bonds
0
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