Molecule

ID:95481

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈F₃O₆P
Molecular Mass
392.3481906
Exact Mass
392.15755991
Charge
0
InChI
InChI=1S/C15H28F3O6P/c1-4-7-9-11-22-25(20,23-12-10-8-5-2)24-13(15(16,17)18)14(19)21-6-3/h13H,4-12H2,1-3H3
InChIKey
ZBBGGSYBLPTBIB-UHFFFAOYSA-N
Canonic Smiles
CCCCCOP(=O)(OC(C(F)(F)F)C(=O)OCC)OCCCCC
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCCCCC)OCCCCC
Calculated Properties
JChem
Acid pKa
13.48662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7984514
LogD (pH = 7.4)
4.7984514
Log P
4.7984514
Molar Refractivity
85.8457
Polarizability
34.051876
Polar Surface Area
71.06
Rotatable Bonds
16
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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