Molecule

ID:88845

General Information
Structure
MolImage
Molecular Formula
C₈H₉BO₂
Molecular Mass
147.96686
Exact Mass
148.06955993
Charge
0
InChI
InChI=1S/C8H9BO2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,10-11H,1H2
InChIKey
YJCPVMYUISTDKG-UHFFFAOYSA-N
Canonic Smiles
OB(C(=C)c1ccccc1)O
Isomeric Smiles
B(C(=C)c1ccccc1)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5375714
LogD (pH = 7.4)
1.5353332
Log P
1.5376
Molar Refractivity
40.2012
Polarizability
17.073353
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
9.678851
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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