Molecule

ID:93607

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O₂
Molecular Mass
242.0915224
Exact Mass
242.01777694
Charge
0
InChI
InChI=1S/C6H5F7O2/c7-4(2-1-3-14,5(8,9)10)15-6(11,12)13/h1-2,14H,3H2
InChIKey
CZEJAYVQMKAUOR-UHFFFAOYSA-N
Canonic Smiles
OC/C=C/C(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)F)(F)/C=C/CO)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.610546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.135956
LogD (pH = 7.4)
3.135956
Log P
3.135956
Molar Refractivity
31.4372
Polarizability
12.673015
Polar Surface Area
29.46
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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