Molecule

ID:32806

General Information
Structure
MolImage
Molecular Formula
C₇H₅BF₄O₂
Molecular Mass
207.9180128
Exact Mass
208.03187268
Charge
0
InChI
InChI=1S/C7H5BF4O2/c9-6-2-4(7(10,11)12)1-5(3-6)8(13)14/h1-3,13-14H
InChIKey
WEMCWZGCSRGJGW-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)C(F)(F)F)B(O)O
Isomeric Smiles
c1(cc(cc(c1)C(F)(F)F)F)B(O)O
Calculated Properties
JChem
Acid pKa
8.498692
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6616669
LogD (pH = 7.4)
2.6289818
Log P
2.6621
Molar Refractivity
36.7936
Polarizability
14.704318
Polar Surface Area
40.46
Rotatable Bonds
2
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