Molecule

ID:98695

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O
Molecular Mass
226.0921224
Exact Mass
226.02286232
Charge
0
InChI
InChI=1S/C6H5F7O/c1-2-3-4(7,5(8,9)10)14-6(11,12)13/h2-3H,1H3
InChIKey
IBROQGCPQVGHHN-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
FC(F)(F)C(OC(F)(F)F)(F)/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.416727
LogD (pH = 7.4)
4.416727
Log P
4.416727
Molar Refractivity
29.6625
Polarizability
11.893099
Polar Surface Area
9.23
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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