Molecule

ID:6510

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₆O₂
Molecular Mass
222.0851792
Exact Mass
222.01154869
Charge
0
InChI
InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2
InChIKey
MNSWITGNWZSAMC-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)C(F)(F)F)C(=O)C=C
Calculated Properties
JChem
Acid pKa
15.017309
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8821342
LogD (pH = 7.4)
2.8821342
Log P
2.8821342
Molar Refractivity
32.6309
Polarizability
12.086484
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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