Molecule

ID:91501

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃BO₂
Molecular Mass
234.14222
Exact Mass
234.17911038
Charge
0
InChI
InChI=1S/C14H23BO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12,16-17H,2-8H2,1H3
InChIKey
HUKDAABRKOWPNA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccc(cc1)B(O)O
Isomeric Smiles
B(c1ccc(cc1)CCCCCCCC)(O)O
Calculated Properties
JChem
Acid pKa
8.848772
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.8809066
LogD (pH = 7.4)
4.8659973
Log P
4.8811
Molar Refractivity
67.8517
Polarizability
28.214529
Polar Surface Area
40.46
Rotatable Bonds
8
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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