Molecule

ID:99025

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₄O₃
Molecular Mass
206.1354128
Exact Mass
206.05660706
Charge
0
InChI
InChI=1S/C6H10F4O3/c7-5(8)6(9,10)3-13-2-4(12)1-11/h4-5,11-12H,1-3H2
InChIKey
LCNPYINHENVWOH-UHFFFAOYSA-N
Canonic Smiles
OCC(COCC(C(F)F)(F)F)O
Isomeric Smiles
O(CC(F)(F)C(F)F)CC(CO)O
Calculated Properties
JChem
Acid pKa
13.641149
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.028909063
LogD (pH = 7.4)
-0.028909309
Log P
-0.028909061
Molar Refractivity
34.4957
Polarizability
13.4643755
Polar Surface Area
49.69
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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