Molecule

ID:92736

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₃
Molecular Mass
207.03406
Exact Mass
207.10667371
Charge
0
InChI
InChI=1S/C10H14BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChIKey
HXBVOKMSEWLCKA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)C)Nc1cccc(c1)B(O)O
Isomeric Smiles
B(c1cc(ccc1)NC(=O)C(C)C)(O)O
Calculated Properties
JChem
Acid pKa
8.68027
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.1556149
LogD (pH = 7.4)
2.1338174
Log P
2.1559
Molar Refractivity
54.6679
Polarizability
22.097723
Polar Surface Area
69.56
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