Molecule

ID:8288

General Information
Structure
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Molecular Formula
C₆H₃F₃O
Molecular Mass
148.0826296
Exact Mass
148.01359938
Charge
0
InChI
InChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey
IJGSULQFKYOYEU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1F)F)F
Isomeric Smiles
c1c(c(c(c(c1)O)F)F)F
Calculated Properties
JChem
Acid pKa
7.4121695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0925448
LogD (pH = 7.4)
1.8061601
Log P
2.0977862
Molar Refractivity
28.6881
Polarizability
10.352525
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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