Molecule

ID:74791

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₃
Molecular Mass
207.03406
Exact Mass
207.10667371
Charge
0
InChI
InChI=1S/C10H14BNO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChIKey
GBCSEYKTZAKRMT-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)C(=O)NC(C)C)O
Isomeric Smiles
O=C(c1ccc(cc1)B(O)O)NC(C)C
Calculated Properties
JChem
Acid pKa
8.597824
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.2926552
LogD (pH = 7.4)
1.2664386
Log P
1.293
Molar Refractivity
53.746
Polarizability
21.895105
Polar Surface Area
69.56
Rotatable Bonds
3
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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