Molecule

ID:93465

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃O₅P
Molecular Mass
326.2055306
Exact Mass
326.05309484
Charge
0
InChI
InChI=1S/C12H14F3O5P/c1-18-21(17,19-2)8-10(16)7-20-11-5-3-4-9(6-11)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKey
MBGWNNJXMYHKQO-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CC(=O)COc1cccc(c1)C(F)(F)F)OC
Isomeric Smiles
P(=O)(CC(=O)COc1cc(ccc1)C(F)(F)F)(OC)OC
Calculated Properties
JChem
Acid pKa
11.1814575
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.28228
LogD (pH = 7.4)
2.2822092
Log P
2.282281
Molar Refractivity
68.0855
Polarizability
26.395853
Polar Surface Area
61.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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