Molecule

ID:64990

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇BO₄
Molecular Mass
306.20488
Exact Mass
306.20023974
Charge
0
InChI
InChI=1S/C17H27BO4/c1-7-8-12-20-14-11-9-10-13(19-6)15(14)18-21-16(2,3)17(4,5)22-18/h9-11H,7-8,12H2,1-6H3
InChIKey
XDXFPKREMSPIMA-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1B1OC(C(O1)(C)C)(C)C)OC
Isomeric Smiles
c1ccc(c(c1OC)B1OC(C(O1)(C)C)(C)C)OCCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.6024
LogD (pH = 7.4)
4.6024
Log P
4.6024
Molar Refractivity
82.5131
Polarizability
34.561733
Polar Surface Area
36.92
Rotatable Bonds
6
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