Molecule

ID:66786

General Information
Structure
MolImage
Molecular Formula
C₇H₉BO₂
Molecular Mass
135.95616
Exact Mass
136.06955993
Charge
0
InChI
InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKey
HBWDWGMBZIFBQE-UHFFFAOYSA-N
Canonic Smiles
OB(Cc1ccccc1)O
Isomeric Smiles
C(c1ccccc1)B(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5952811
LogD (pH = 7.4)
1.5784563
Log P
1.5955
Molar Refractivity
35.6045
Polarizability
15.394252
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
8.795205
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
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References
Bioactivity
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