Molecule

ID:118786

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₃
Molecular Mass
232.2071632
Exact Mass
232.05357237
Charge
0
InChI
InChI=1S/C13H9FO3/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8H,(H,15,16)
InChIKey
JEZVFQIMFSGLFL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1cccc(c1)C(=O)O
Isomeric Smiles
C(=O)(c1cc(Oc2ccc(F)cc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.8236463
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5944575
LogD (pH = 7.4)
0.022454476
Log P
3.2738178
Molar Refractivity
59.7714
Polarizability
22.67229
Polar Surface Area
46.53
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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