Molecule

ID:94521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BF₄O₃
Molecular Mass
265.9971528
Exact Mass
266.07373749
Charge
0
InChI
InChI=1S/C10H11BF4O3/c1-2-3-4-18-10-8(14)6(12)5(11(16)17)7(13)9(10)15/h16-17H,2-4H2,1H3
InChIKey
DXYUAQQPCWNJQX-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1c(F)c(F)c(c(c1F)F)B(O)O
Isomeric Smiles
B(c1c(c(c(c(c1F)F)OCCCC)F)F)(O)O
Calculated Properties
JChem
Acid pKa
7.5442276
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.148616
LogD (pH = 7.4)
2.9179335
Log P
3.1525
Molar Refractivity
51.8059
Polarizability
20.730722
Polar Surface Area
49.69
Rotatable Bonds
5
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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