Molecule

ID:32666

General Information
Structure
MolImage
Molecular Formula
C₆H₅BClFO₃
Molecular Mass
190.3645032
Exact Mass
190.00043032
Charge
0
InChI
InChI=1S/C6H5BClFO3/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,10-12H
InChIKey
MMQMWHTYNPPUMF-UHFFFAOYSA-N
Canonic Smiles
OB(c1c(F)ccc(c1Cl)O)O
Isomeric Smiles
c1(c(c(ccc1F)O)Cl)B(O)O
Calculated Properties
JChem
Acid pKa
7.1615467
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.0035403
LogD (pH = 7.4)
1.5237565
Log P
2.0129
Molar Refractivity
37.6056
Polarizability
15.901483
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