Molecule

ID:65249

General Information
Structure
Molecular Formula
C₁₂H₂₁BF₂O₅
Molecular Mass
294.0999464
Exact Mass
294.14501061
Charge
0
InChI
InChI=1S/C12H21BF2O5/c1-11(2)12(3,4)20-13(19-11)9(10(14)15)18-8-17-7-6-16-5/h6-8H2,1-5H3
InChIKey
IDWBUWZLOWIIFY-UHFFFAOYSA-N
Canonic Smiles
COCCOCOC(=C(F)F)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)C(=C(F)F)OCOCCOC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.0872
LogD (pH = 7.4)
3.0872
Log P
3.0872
Molar Refractivity
83.6835
Polarizability
26.929106
Polar Surface Area
46.15
Rotatable Bonds
7
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