Molecule

ID:136279

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BO₄
Molecular Mass
258.0775
Exact Mass
258.10633936
Charge
0
InChI
InChI=1S/C14H15BO4/c1-18-14-8-3-2-5-11(14)10-19-13-7-4-6-12(9-13)15(16)17/h2-9,16-17H,10H2,1H3
InChIKey
ISSAOILCOPRMKF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1COc1cccc(c1)B(O)O
Isomeric Smiles
B(c1cccc(c1)OCc1ccccc1OC)(O)O
Calculated Properties
JChem
Acid pKa
8.654084
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9106972
LogD (pH = 7.4)
2.887581
Log P
2.911
Molar Refractivity
68.1425
Polarizability
28.1561
Polar Surface Area
58.92
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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