Molecule

ID:9652

General Information
Structure
MolImage
Molecular Formula
C₆HF₅O
Molecular Mass
184.063556
Exact Mass
183.99475575
Charge
0
InChI
InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N
Canonic Smiles
Fc1c(O)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(F)c(F)c(O)c(c(c1F)F)F
Calculated Properties
JChem
Acid pKa
5.765602
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1974938
LogD (pH = 7.4)
0.904295
Log P
2.3831902
Molar Refractivity
29.1209
Polarizability
10.361605
Polar Surface Area
20.23
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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