Molecule

ID:95487

General Information
Structure
Molecular Formula
C₁₀H₁₈F₃O₆P
Molecular Mass
322.2152906
Exact Mass
322.07930959
Charge
0
InChI
InChI=1S/C10H18F3O6P/c1-6(2)17-20(15,18-7(3)4)19-8(9(14)16-5)10(11,12)13/h6-8H,1-5H3
InChIKey
ZDYIYMOKTDFBPT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)OP(=O)(OC(C)C)OC(C)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OC)(OC(C)C)OC(C)C
Calculated Properties
JChem
Acid pKa
13.48688
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4514742
LogD (pH = 7.4)
2.451474
Log P
2.4514742
Molar Refractivity
62.4827
Polarizability
25.101871
Polar Surface Area
71.06
Rotatable Bonds
9
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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