Molecule

ID:96456

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅F₃O₃
Molecular Mass
276.2516096
Exact Mass
276.097329
Charge
0
InChI
InChI=1S/C13H15F3O3/c1-2-18-12(17)9-19-11(13(14,15)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
BVAAGAZXDQSSKL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COC(C(F)(F)F)Cc1ccccc1
Isomeric Smiles
O(C(C(F)(F)F)Cc1ccccc1)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
18.170807
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1332324
LogD (pH = 7.4)
3.1332324
Log P
3.1332324
Molar Refractivity
63.1027
Polarizability
23.966202
Polar Surface Area
35.53
Rotatable Bonds
8
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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