Molecule

ID:100526

General Information
Structure
MolImage
Molecular Formula
C₁₅H₆F₆O
Molecular Mass
316.1979592
Exact Mass
316.03228413
Charge
0
InChI
InChI=1S/C15H6F6O/c16-8-3-1-7(2-4-8)10(22)6-5-9-11(17)13(19)15(21)14(20)12(9)18/h1-6H
InChIKey
RHUZWOQCENJPPY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
O=C(c1ccc(cc1)F)/C=C/c1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
Acid pKa
14.867189
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7465367
LogD (pH = 7.4)
4.7465367
Log P
4.7465367
Molar Refractivity
68.1754
Polarizability
23.897518
Polar Surface Area
17.07
Rotatable Bonds
3
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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