Molecule

ID:88095

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₄
Molecular Mass
223.03346
Exact Mass
223.10158833
Charge
0
InChI
InChI=1S/C10H14BNO4/c1-16-6-5-12-10(13)8-3-2-4-9(7-8)11(14)15/h2-4,7,14-15H,5-6H2,1H3,(H,12,13)
InChIKey
QVHVUTWTDDOULZ-UHFFFAOYSA-N
Canonic Smiles
COCCNC(=O)c1cccc(c1)B(O)O
Isomeric Smiles
B(c1cc(ccc1)C(=O)NCCOC)(O)O
Calculated Properties
JChem
Acid pKa
8.609065
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.37226397
LogD (pH = 7.4)
0.34669802
Log P
0.3726
Molar Refractivity
55.6221
Polarizability
22.612364
Polar Surface Area
78.79
Rotatable Bonds
5
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