Molecule

ID:100754

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈BFO₂
Molecular Mass
248.1009232
Exact Mass
248.13838844
Charge
0
InChI
InChI=1S/C14H18BFO2/c1-10(11-6-8-12(16)9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1H2,2-5H3
InChIKey
BNROZDXKAQJDJC-UHFFFAOYSA-N
Canonic Smiles
C=C(c1ccc(cc1)F)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
Fc1ccc(cc1)C(=C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9377
LogD (pH = 7.4)
3.9377
Log P
3.9377
Molar Refractivity
65.5272
Polarizability
27.175365
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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