Molecule

ID:98205

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₅O₂
Molecular Mass
190.068136
Exact Mass
190.00532044
Charge
0
InChI
InChI=1S/C5H3F5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
InChIKey
AZKKPFXZCSUOGD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=C(F)F)F)(F)F
Isomeric Smiles
O(C(=O)C(C(=C(F)F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4862435
LogD (pH = 7.4)
1.4862435
Log P
1.4862435
Molar Refractivity
38.061
Polarizability
10.330293
Polar Surface Area
26.3
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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