Molecule

ID:96894

General Information
Structure
MolImage
Molecular Formula
C₆H₆BFO₃
Molecular Mass
155.9194432
Exact Mass
156.03940267
Charge
0
InChI
InChI=1S/C6H6BFO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9-11H
InChIKey
GNCXNRGBOBWFSO-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(c(c1)O)F)O
Isomeric Smiles
B(c1cc(c(cc1)F)O)(O)O
Calculated Properties
JChem
Acid pKa
7.784988
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.4926585
LogD (pH = 7.4)
1.341887
Log P
1.4949
Molar Refractivity
32.8008
Polarizability
13.898231
Polar Surface Area
60.69
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