Molecule

ID:94036

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
InChIKey
SJIIGBFXZWSXJP-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1ccc(cc1)C(=O)O
Isomeric Smiles
O=C(c1ccc(cc1)c1cccc(c1)F)O
Calculated Properties
JChem
Acid pKa
4.061099
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.969839
LogD (pH = 7.4)
0.29777247
Log P
3.420756
Molar Refractivity
58.6668
Polarizability
23.2428
Polar Surface Area
37.3
Rotatable Bonds
2
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
References
Bioactivity
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