Molecule

ID:11972

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O
Molecular Mass
226.0921224
Exact Mass
226.02286232
Charge
0
InChI
InChI=1S/C6H5F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h1-2,14H,3H2/b2-1+
InChIKey
FJRYHIWIYHYOTE-OWOJBTEDSA-N
Canonic Smiles
OC/C=C/C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(/C=C/CO)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.609656
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3650203
LogD (pH = 7.4)
2.3650203
Log P
2.3650203
Molar Refractivity
33.366
Polarizability
11.831593
Polar Surface Area
20.23
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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