Molecule

ID:9870

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₂O
Molecular Mass
218.1988264
Exact Mass
218.05432132
Charge
0
InChI
InChI=1S/C13H8F2O/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8H
InChIKey
SGTSFZMOEFGUPQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)c1ccccc1F
Isomeric Smiles
c1ccc(c(c1)C(=O)c1cc(ccc1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7180028
LogD (pH = 7.4)
3.7180028
Log P
3.7180028
Molar Refractivity
57.0663
Polarizability
21.311148
Polar Surface Area
17.07
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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