Molecule

ID:12064

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₅O₂
Molecular Mass
252.137516
Exact Mass
252.0209705
Charge
0
InChI
InChI=1S/C10H5F5O2/c11-7(8(12)10(13,14)15)5-3-1-2-4-6(5)9(16)17/h1-4H,(H,16,17)/b8-7+
InChIKey
CUOKTXDAPACOKH-BQYQJAHWSA-N
Canonic Smiles
F/C(=C(\c1ccccc1C(=O)O)/F)/C(F)(F)F
Isomeric Smiles
C(=O)(c1c(cccc1)/C(=C(/C(F)(F)F)\F)/F)O
Calculated Properties
JChem
Acid pKa
3.1397798
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.25308242
LogD (pH = 7.4)
-0.8687148
Log P
2.5867336
Molar Refractivity
49.8621
Polarizability
17.313726
Polar Surface Area
37.3
Rotatable Bonds
3
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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