Molecule

ID:8599

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₂O
Molecular Mass
156.1294464
Exact Mass
156.03867125
Charge
0
InChI
InChI=1S/C8H6F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
InChIKey
PQUXFUBNSYCQAL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1)C(=O)C)F)F
Calculated Properties
JChem
Acid pKa
15.075176
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8162972
LogD (pH = 7.4)
1.8162972
Log P
1.8162972
Molar Refractivity
36.8936
Polarizability
13.510123
Polar Surface Area
17.07
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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