Molecule

ID:96371

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃O₄P
Molecular Mass
310.2061306
Exact Mass
310.05818022
Charge
0
InChI
InChI=1S/C12H14F3O4P/c1-3-18-20(17,19-4-2)11(16)9-5-7-10(8-6-9)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKey
AZTRLHUDTSZWIP-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C(=O)c1ccc(cc1)C(F)(F)F)OCC
Isomeric Smiles
P(=O)(C(=O)c1ccc(cc1)C(F)(F)F)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0481985
LogD (pH = 7.4)
3.0481985
Log P
3.0481985
Molar Refractivity
67.3246
Polarizability
25.597158
Polar Surface Area
52.6
Rotatable Bonds
7
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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