Molecule

ID:30430

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FO₃
Molecular Mass
206.1698832
Exact Mass
206.0379223
Charge
0
InChI
InChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
CEPXYOAURAQQGM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1402059
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06774964
LogD (pH = 7.4)
-1.0543778
Log P
2.4010038
Molar Refractivity
50.9352
Polarizability
20.159864
Polar Surface Area
50.44
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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