Molecule

ID:95215

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₃
Molecular Mass
234.1718696
Exact Mass
234.05037881
Charge
0
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)16-8-3-1-7(2-4-8)14-5-9-6-15-9/h1-4,9H,5-6H2
InChIKey
TZNVDWDKRCCSMR-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)OCC1OC1)(F)F
Isomeric Smiles
O1C(C1)COc1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0879529
LogD (pH = 7.4)
3.0879529
Log P
3.0879529
Molar Refractivity
44.3362
Polarizability
18.523594
Polar Surface Area
30.99
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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