Molecule

ID:76494

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁BO₂
Molecular Mass
125.96134
Exact Mass
126.08520999
Charge
0
InChI
InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2
InChIKey
XZWQKJXJNKYMAP-UHFFFAOYSA-N
Canonic Smiles
OB(C1=CCCCC1)O
Isomeric Smiles
B(C1=CCCCC1)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9601776
LogD (pH = 7.4)
0.95842266
Log P
0.9602
Molar Refractivity
33.1795
Polarizability
14.033145
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
9.784741
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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