Molecule

ID:95480

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆F₃O₆P
Molecular Mass
308.1887106
Exact Mass
308.06365952
Charge
0
InChI
InChI=1S/C9H16F3O6P/c1-4-15-8(13)7(9(10,11)12)18-19(14,16-5-2)17-6-3/h7H,4-6H2,1-3H3
InChIKey
XEZTTYBRBJYINN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)OP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCC)OCC
Calculated Properties
JChem
Acid pKa
13.48662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9751321
LogD (pH = 7.4)
1.9751318
Log P
1.9751321
Molar Refractivity
58.3937
Polarizability
23.328983
Polar Surface Area
71.06
Rotatable Bonds
10
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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