Molecule

ID:74795

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BO₄
Molecular Mass
206.00294
Exact Mass
206.07503923
Charge
0
InChI
InChI=1S/C10H11BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7,13-14H,1H3
InChIKey
BIKAXBPCHWDATP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(cc1)B(O)O
Isomeric Smiles
O=C(/C=C/c1ccc(cc1)B(O)O)OC
Calculated Properties
JChem
Acid pKa
8.759935
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7257626
LogD (pH = 7.4)
2.7075408
Log P
2.726
Molar Refractivity
52.3745
Polarizability
21.499643
Polar Surface Area
66.76
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