Molecule

ID:100789

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₅O₂
Molecular Mass
192.084016
Exact Mass
192.0209705
Charge
0
InChI
InChI=1S/C5H5F5O2/c6-4(7,5(8,9)10)2-1-3(11)12/h1-2H2,(H,11,12)
InChIKey
HHSIXPRDVJARSI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(F)(F)F)(F)F
Isomeric Smiles
O=C(O)CCC(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
3.1800642
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69377774
LogD (pH = 7.4)
-1.8466643
Log P
1.6022197
Molar Refractivity
27.7365
Polarizability
10.388687
Polar Surface Area
37.3
Rotatable Bonds
4
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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