Molecule

ID:93800

General Information
Structure
MolImage
Molecular Formula
C₆H₃BF₄O₂
Molecular Mass
193.8914328
Exact Mass
194.01622262
Charge
0
InChI
InChI=1S/C6H3BF4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,12-13H
InChIKey
GXGSBMNUHWAXHP-UHFFFAOYSA-N
Canonic Smiles
OB(c1cc(F)c(c(c1F)F)F)O
Isomeric Smiles
B(c1c(c(c(c(c1)F)F)F)F)(O)O
Calculated Properties
JChem
Acid pKa
7.960335
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.196306
LogD (pH = 7.4)
2.0926597
Log P
2.1978
Molar Refractivity
31.4691
Polarizability
12.872337
Polar Surface Area
40.46
Rotatable Bonds
1
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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