Molecule

ID:9087

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₂O
Molecular Mass
218.1988264
Exact Mass
218.05432132
Charge
0
InChI
InChI=1S/C13H8F2O/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-8H
InChIKey
KTRGJHDNHIPMEY-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1C(=O)c1ccccc1)F
Isomeric Smiles
O=C(c1c(cccc1F)F)c1ccccc1
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
21.31193
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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