Molecule

ID:78431

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁BO₅
Molecular Mass
292.13524
Exact Mass
292.14820417
Charge
0
InChI
InChI=1S/C15H21BO5/c1-10(17)19-13-9-11(7-8-12(13)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3
InChIKey
XNQOYRPBJQKOGV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O(c1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)OC(=O)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1466
LogD (pH = 7.4)
3.1466
Log P
3.1466
Molar Refractivity
73.3087
Polarizability
30.955532
Polar Surface Area
53.99
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