Molecule

ID:6777

General Information
Structure
MolImage
Molecular Formula
C₁₃H₅F₅O
Molecular Mass
272.170216
Exact Mass
272.02605588
Charge
0
InChI
InChI=1S/C13H5F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5H
InChIKey
HCCPWBWOSASKLG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)c(F)c(c(c1F)F)F)c1ccccc1
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1461086
LogD (pH = 7.4)
4.1461086
Log P
4.1461086
Molar Refractivity
57.7155
Polarizability
20.765358
Polar Surface Area
17.07
Rotatable Bonds
2
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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