Molecule

ID:11968

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₇O₂
Molecular Mass
244.1074024
Exact Mass
244.033427
Charge
0
InChI
InChI=1S/C6H7F7O2/c7-4(8,1-3(15)2-14)5(9,10)6(11,12)13/h3,14-15H,1-2H2
InChIKey
GGHXTGYWFGCELG-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(F)(F)F)(F)F)(F)F)O
Isomeric Smiles
C(C(CC(C(C(F)(F)F)(F)F)(F)F)O)O
Calculated Properties
JChem
Acid pKa
14.124173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4777728
LogD (pH = 7.4)
1.4777727
Log P
1.4777728
Molar Refractivity
33.4617
Polarizability
12.867644
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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