Molecule

ID:16639

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈F₂O₂
Molecular Mass
222.1875264
Exact Mass
222.04923594
Charge
0
InChI
InChI=1S/C12H8F2O2/c13-12(14)16-11-6-5-8-3-1-2-4-9(8)10(11)7-15/h1-7,12H
InChIKey
KHYFVIYUNAEOHW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(ccc2c1cccc2)OC(F)F
Isomeric Smiles
c12c(c(ccc1cccc2)OC(F)F)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4443119
LogD (pH = 7.4)
3.4443119
Log P
3.4443119
Molar Refractivity
55.5643
Polarizability
21.64971
Polar Surface Area
26.3
Rotatable Bonds
3
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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