Molecule

ID:87553

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁BO₂
Molecular Mass
244.13704
Exact Mass
244.16346031
Charge
0
InChI
InChI=1S/C15H21BO2/c1-12(2)17-16(18-13(3)4)11-10-15-8-6-14(5)7-9-15/h6-9,12-13H,1-5H3
InChIKey
MHBUORZWUHUUFZ-UHFFFAOYSA-N
Canonic Smiles
CC(OB(OC(C)C)C#Cc1ccc(cc1)C)C
Isomeric Smiles
B(C#Cc1ccc(cc1)C)(OC(C)C)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4786
LogD (pH = 7.4)
5.4786
Log P
5.4786
Molar Refractivity
67.1171
Polarizability
29.114307
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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