Molecule

ID:76518

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃BO₂
Molecular Mass
139.98792
Exact Mass
140.10086006
Charge
0
InChI
InChI=1S/C7H13BO2/c9-8(10)7-5-3-1-2-4-6-7/h5,9-10H,1-4,6H2
InChIKey
MMOVERLKAAQVGD-UHFFFAOYSA-N
Canonic Smiles
OB(C1=CCCCCC1)O
Isomeric Smiles
B(C1=CCCCCC1)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3564776
LogD (pH = 7.4)
1.3547226
Log P
1.3565
Molar Refractivity
37.7805
Polarizability
15.875266
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
9.784742
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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