Molecule

ID:32887

General Information
Structure
MolImage
Molecular Formula
C₈H₉BO₂
Molecular Mass
147.96686
Exact Mass
148.06955993
Charge
0
InChI
InChI=1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2
InChIKey
QWMJEUJXWVZSAG-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)B(O)O
Isomeric Smiles
c1(ccc(cc1)C=C)B(O)O
Calculated Properties
JChem
Acid pKa
8.794699
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5360808
LogD (pH = 7.4)
2.5192335
Log P
2.5363
Molar Refractivity
40.2898
Polarizability
17.058306
Polar Surface Area
40.46
Rotatable Bonds
2
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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