Molecule

ID:17655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₂O₂
Molecular Mass
208.1609464
Exact Mass
208.03358587
Charge
0
InChI
InChI=1S/C11H6F2O2/c12-7-1-3-9(10(13)5-7)11-4-2-8(6-14)15-11/h1-6H
InChIKey
JOKLUPUCUUTVHJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1ccc(cc1F)F
Isomeric Smiles
c1(c2c(cc(cc2)F)F)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5986252
LogD (pH = 7.4)
2.5986252
Log P
2.5986252
Molar Refractivity
50.4794
Polarizability
19.421635
Polar Surface Area
30.21
Rotatable Bonds
2
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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