Molecule

ID:7246

General Information
Structure
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Molecular Formula
C₈H₁₆FO₅P
Molecular Mass
242.1818042
Exact Mass
242.07193846
Charge
0
InChI
InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey
FVPISMANESAJQZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(P(=O)(OCC)OCC)F
Isomeric Smiles
O=C(C(P(=O)(OCC)OCC)F)OCC
Calculated Properties
JChem
Acid pKa
16.44774
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1975211
LogD (pH = 7.4)
1.1975211
Log P
1.1975211
Molar Refractivity
51.1198
Polarizability
20.897814
Polar Surface Area
61.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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