Molecule

ID:40499

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₂O₂
Molecular Mass
234.1982264
Exact Mass
234.04923594
Charge
0
InChI
InChI=1S/C13H8F2O2/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-8H
InChIKey
XOJHFAVMLHRBBZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccc(c(c1)F)F
Isomeric Smiles
c1(cc(Oc2c(C=O)cccc2)ccc1F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4714391
LogD (pH = 7.4)
3.4714391
Log P
3.4714391
Molar Refractivity
59.3156
Polarizability
21.932085
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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