Molecule

ID:88875

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BO₂
Molecular Mass
230.11046
Exact Mass
230.14781025
Charge
0
InChI
InChI=1S/C14H19BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3
InChIKey
RMGBWPMWUZSIMH-UHFFFAOYSA-N
Canonic Smiles
C=C(c1ccccc1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
B1(C(=C)c2ccccc2)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7982
LogD (pH = 7.4)
3.7982
Log P
3.7982
Molar Refractivity
65.3108
Polarizability
27.561699
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
References
Bioactivity
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