Molecule
ID:96253
General Information
Molecular Formula
C₁₄H₂₄F₆NO₅P
Molecular Mass
431.3082402
Exact Mass
431.12962882
Charge
0
InChI
InChI=1S/C14H24F6NO5P/c1-4-7-9-25-27(23,26-10-8-5-2)12(13(15,16)17,14(18,19)20)21-11(22)24-6-3/h4-10H2,1-3H3,(H,21,22)
InChIKey
VBZGXFZYJSLYMP-UHFFFAOYSA-N
Canonic Smiles
CCCCOP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)OCCCC
Isomeric Smiles
P(=O)(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)(OCCCC)OCCCC
Calculated Properties
JChem
Acid pKa
8.051474
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1823964
LogD (pH = 7.4)
5.104309
Log P
5.1835093
Molar Refractivity
83.7724
Polarizability
32.423626
Polar Surface Area
73.86
Rotatable Bonds
14
Lipinski's Rule of Five
false
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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