Molecule

ID:6586

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O₂
Molecular Mass
242.0915224
Exact Mass
242.01777694
Charge
0
InChI
InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
InChIKey
ISFKSWMQWIRDNC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(=O)(CCC(C(C(F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
2.7066536
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41797644
LogD (pH = 7.4)
-1.1978118
Log P
2.3028624
Molar Refractivity
32.4045
Polarizability
12.26583
Polar Surface Area
37.3
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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