Molecule

ID:98603

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₆O₂
Molecular Mass
272.1438592
Exact Mass
272.02719875
Charge
0
InChI
InChI=1S/C10H6F6O2/c11-9(12,13)8(10(14,15)16)18-7(17)6-4-2-1-3-5-6/h1-5,8H
InChIKey
NHVPGKSKRBHDGH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
O=C(c1ccccc1)OC(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.017128
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9466822
LogD (pH = 7.4)
3.9466822
Log P
3.9466822
Molar Refractivity
48.6537
Polarizability
17.732677
Polar Surface Area
26.3
Rotatable Bonds
5
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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