Molecule

ID:8264

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃O
Molecular Mass
148.0826296
Exact Mass
148.01359938
Charge
0
InChI
InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKey
QSFGUSFDWCVXNR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)O)F
Isomeric Smiles
c1cc(c(c(c1F)O)F)F
Calculated Properties
JChem
Acid pKa
6.6970086
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0713172
LogD (pH = 7.4)
1.3380842
Log P
2.0977862
Molar Refractivity
28.6881
Polarizability
10.355137
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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