Molecule

ID:11973

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₇O₂
Molecular Mass
240.0756424
Exact Mass
240.00212688
Charge
0
InChI
InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
InChIKey
JTCVKNUSIGHJRG-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
O=C(C=C)OC(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.452781
LogD (pH = 7.4)
3.452781
Log P
3.452781
Molar Refractivity
32.7173
Polarizability
12.195421
Polar Surface Area
26.3
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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