Molecule

ID:99927

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅BF₂O₂
Molecular Mass
240.0541064
Exact Mass
240.11331656
Charge
0
InChI
InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
InChIKey
ADHKLRLGCVHQCG-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1c(F)cccc1F
Isomeric Smiles
O1B(c2c(cccc2F)F)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1794
LogD (pH = 7.4)
4.1794
Log P
4.1794
Molar Refractivity
56.1459
Polarizability
23.371742
Polar Surface Area
18.46
Rotatable Bonds
1
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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