Molecule

ID:96837

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BFO₄
Molecular Mass
211.9827032
Exact Mass
212.06561742
Charge
0
InChI
InChI=1S/C9H10BFO4/c1-2-15-9(12)7-4-3-6(11)5-8(7)10(13)14/h3-5,13-14H,2H2,1H3
InChIKey
DIHBRMAJVXAIOE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1B(O)O)F
Isomeric Smiles
O=C(c1ccc(cc1B(O)O)F)OCC
Calculated Properties
JChem
Acid pKa
8.036132
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.268145
LogD (pH = 7.4)
2.1794868
Log P
2.2694
Molar Refractivity
47.5938
Polarizability
19.561745
Polar Surface Area
66.76
Rotatable Bonds
4
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