Molecule

ID:77149

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅BO₂
Molecular Mass
129.9931
Exact Mass
130.11651012
Charge
0
InChI
InChI=1S/C6H15BO2/c1-2-3-4-5-6-7(8)9/h8-9H,2-6H2,1H3
InChIKey
CXSYDLCMCLCOCA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCB(O)O
Isomeric Smiles
B(CCCCCC)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9633049
LogD (pH = 7.4)
1.9482696
Log P
1.9635
Molar Refractivity
33.9135
Polarizability
15.003329
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Acid pKa
8.84498
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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