Molecule

ID:88181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BNO₄
Molecular Mass
235.04416
Exact Mass
235.10158833
Charge
0
InChI
InChI=1S/C11H14BNO4/c14-11(13-4-6-17-7-5-13)9-2-1-3-10(8-9)12(15)16/h1-3,8,15-16H,4-7H2
InChIKey
DRZFURCXDFRZNR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)B(O)O)N1CCOCC1
Isomeric Smiles
B(c1cc(ccc1)C(=O)N1CCOCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.607682
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.44096297
LogD (pH = 7.4)
0.41531783
Log P
0.4413
Molar Refractivity
58.5498
Polarizability
23.728176
Polar Surface Area
70.0
Rotatable Bonds
2
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