Molecule

ID:75623

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₄
Molecular Mass
262.10926
Exact Mass
262.13763949
Charge
0
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3
InChIKey
GWSGJWIUSIAFOP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
O1B(c2c(cccc2)C(=O)OC)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.048
LogD (pH = 7.4)
4.048
Log P
4.048
Molar Refractivity
67.7384
Polarizability
28.420578
Polar Surface Area
44.76
Rotatable Bonds
3
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