Molecule

ID:100042

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₂O₃
Molecular Mass
214.1655264
Exact Mass
214.04415056
Charge
0
InChI
InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
InChIKey
OKYUHFSCTFNDFB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)c1ccc(cc1F)F
Isomeric Smiles
Fc1c(ccc(c1)F)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3558834
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.48853767
LogD (pH = 7.4)
-1.7724905
Log P
1.64116
Molar Refractivity
47.7869
Polarizability
17.848112
Polar Surface Area
54.37
Rotatable Bonds
4
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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