Molecule

ID:64726

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BNO₄
Molecular Mass
235.04416
Exact Mass
235.10158833
Charge
0
InChI
InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
InChIKey
KMNLIQJXZPBCDU-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)C(=O)N1CCOCC1)O
Isomeric Smiles
C(=O)(N1CCOCC1)c1ccc(B(O)O)cc1
Calculated Properties
JChem
Acid pKa
8.593768
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.44095203
LogD (pH = 7.4)
0.41449693
Log P
0.4413
Molar Refractivity
58.5498
Polarizability
23.728968
Polar Surface Area
70.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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