Molecule
ID:94258
General Information
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-11-7-6-10(9-15)13(8-11)16-12-4-2-1-3-5-12/h1-9H
InChIKey
DAWRKBHLUAPLHG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Oc1ccccc1)F
Isomeric Smiles
O=Cc1ccc(cc1Oc1ccccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3287373
LogD (pH = 7.4)
3.3287373
Log P
3.3287373
Molar Refractivity
59.0992
Polarizability
22.206997
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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