Molecule
ID:95491
General Information
Molecular Formula
C₁₃H₂₄F₃O₆P
Molecular Mass
364.2950306
Exact Mass
364.12625978
Charge
0
InChI
InChI=1S/C13H24F3O6P/c1-6-19-12(17)11(13(14,15)16)22-23(18,20-7-9(2)3)21-8-10(4)5/h9-11H,6-8H2,1-5H3
InChIKey
UGGDQHPTIONWKP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)OP(=O)(OCC(C)C)OCC(C)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCC(C)C)OCC(C)C
Calculated Properties
JChem
Acid pKa
13.48662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7501225
LogD (pH = 7.4)
3.750122
Log P
3.7501225
Molar Refractivity
76.3849
Polarizability
30.457613
Polar Surface Area
71.06
Rotatable Bonds
12
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
No Data Available
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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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