Molecule

ID:75465

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BNO₅
Molecular Mass
251.04356
Exact Mass
251.09650295
Charge
0
InChI
InChI=1S/C11H14BNO5/c1-18-10(14)5-6-13-11(15)8-3-2-4-9(7-8)12(16)17/h2-4,7,16-17H,5-6H2,1H3,(H,13,15)
InChIKey
HOSNWHARMRFHGM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC(=O)c1cccc(c1)B(O)O
Isomeric Smiles
B(c1cc(ccc1)C(=O)NCCC(=O)OC)(O)O
Calculated Properties
JChem
Acid pKa
8.609123
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.291864
LogD (pH = 7.4)
0.26630142
Log P
0.2922
Molar Refractivity
60.1317
Polarizability
24.564613
Polar Surface Area
95.86
Rotatable Bonds
6
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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