Molecule
ID:77165
General Information
Molecular Formula
C₁₄H₂₃BO₂
Molecular Mass
234.14222
Exact Mass
234.17911038
Charge
0
InChI
InChI=1S/C14H23BO2/c1-3-5-12-16-15(17-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
AXCXNCAUYZRGHF-UHFFFAOYSA-N
Canonic Smiles
CCCCOB(c1ccccc1)OCCCC
Isomeric Smiles
B(c1ccccc1)(OCCCC)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5104
LogD (pH = 7.4)
5.5104
Log P
5.5104
Molar Refractivity
67.3153
Polarizability
28.445496
Polar Surface Area
18.46
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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