Molecule

ID:97785

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₃O
Molecular Mass
186.1306096
Exact Mass
186.02924944
Charge
0
InChI
InChI=1S/C9H5F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5H
InChIKey
PZCIAKIDGUSIMF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)cco2)(F)F
Isomeric Smiles
o1ccc2c1ccc(c2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0102177
LogD (pH = 7.4)
3.0102177
Log P
3.0102177
Molar Refractivity
40.8728
Polarizability
15.772836
Polar Surface Area
13.14
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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