Molecule
ID:58743
General Information
Molecular Formula
C₁₀H₁₅BO₃
Molecular Mass
194.0353
Exact Mass
194.11142474
Charge
0
InChI
InChI=1S/C10H15BO3/c1-3-14-8(2)9-4-6-10(7-5-9)11(12)13/h4-8,12-13H,3H2,1-2H3
InChIKey
OUASAVPZGSGDFJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1ccc(cc1)B(O)O)C
Isomeric Smiles
B(c1ccc(cc1)C(OCC)C)(O)O
Calculated Properties
JChem
Acid pKa
8.745842
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1381547
LogD (pH = 7.4)
2.1193454
Log P
2.1384
Molar Refractivity
51.338
Polarizability
21.582958
Polar Surface Area
49.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...