Molecule

ID:31104

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₂O₄
Molecular Mass
232.1808064
Exact Mass
232.05471524
Charge
0
InChI
InChI=1S/C10H10F2O4/c1-2-15-8-5-6(9(13)14)3-4-7(8)16-10(11)12/h3-5,10H,2H2,1H3,(H,13,14)
InChIKey
FPNSIXUGULJPGQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OC(F)F)C(=O)O
Isomeric Smiles
C(=O)(c1cc(c(OC(F)F)cc1)OCC)O
Calculated Properties
JChem
Acid pKa
4.0593705
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1464813
LogD (pH = 7.4)
-0.52498055
Log P
2.5990524
Molar Refractivity
50.9981
Polarizability
19.244734
Polar Surface Area
55.76
Rotatable Bonds
5
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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