Molecule

ID:94213

General Information
Structure
MolImage
Molecular Formula
C₇H₇BF₂O₃
Molecular Mass
187.9364864
Exact Mass
188.04563092
Charge
0
InChI
InChI=1S/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
InChIKey
MFZNJRNTHPKCFY-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)OC(F)F)O
Isomeric Smiles
B(c1ccc(cc1)OC(F)F)(O)O
Calculated Properties
JChem
Acid pKa
8.832622
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.241099
LogD (pH = 7.4)
2.225635
Log P
2.2413
Molar Refractivity
37.0756
Polarizability
15.66137
Polar Surface Area
49.69
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