Molecule

ID:8266

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₃O
Molecular Mass
148.0826296
Exact Mass
148.01359938
Charge
0
InChI
InChI=1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
ZRTWIJKGTUGZJY-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(F)c(c(c1)F)F
Isomeric Smiles
c1(c(c(cc(c1)O)F)F)F
Calculated Properties
JChem
Acid pKa
7.486705
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0933623
LogD (pH = 7.4)
1.8404104
Log P
2.0977862
Molar Refractivity
28.6881
Polarizability
10.352222
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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