Molecule

ID:87552

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₂
Molecular Mass
230.11046
Exact Mass
230.14781025
Charge
0
InChI
InChI=1S/C14H19BO2/c1-12(2)16-15(17-13(3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,1-4H3
InChIKey
FECUSGOPAKRSLF-UHFFFAOYSA-N
Canonic Smiles
CC(OB(OC(C)C)C#Cc1ccccc1)C
Isomeric Smiles
B(C#Cc1ccccc1)(OC(C)C)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0114
LogD (pH = 7.4)
5.0114
Log P
5.0114
Molar Refractivity
62.0759
Polarizability
27.3486
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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