Molecule

ID:98680

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇F₂O₄P
Molecular Mass
258.1994474
Exact Mass
258.08325209
Charge
0
InChI
InChI=1S/C9H17F2O4P/c1-4-5-6-9(10,11)8(12)7-16(13,14-2)15-3/h4-7H2,1-3H3
InChIKey
CISDEVRDMKWPCP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)CP(=O)(OC)OC)(F)F
Isomeric Smiles
FC(C(=O)CP(=O)(OC)OC)(CCCC)F
Calculated Properties
JChem
Acid pKa
8.186725
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2784255
LogD (pH = 7.4)
2.2137098
Log P
2.2793164
Molar Refractivity
54.9628
Polarizability
21.804697
Polar Surface Area
52.6
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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