Molecule
ID:96262
General Information
Molecular Formula
C₈H₁₂F₆NO₅P
Molecular Mass
347.1487602
Exact Mass
347.03572844
Charge
0
InChI
InChI=1S/C8H12F6NO5P/c1-4-20-5(16)15-6(7(9,10)11,8(12,13)14)21(17,18-2)19-3/h4H2,1-3H3,(H,15,16)
InChIKey
JOEKNMVNMCGLKS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(P(=O)(OC)OC)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
P(=O)(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)(OC)OC
Calculated Properties
JChem
Acid pKa
7.5063553
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6531544
LogD (pH = 7.4)
2.434281
Log P
2.657045
Molar Refractivity
56.0252
Polarizability
21.952795
Polar Surface Area
73.86
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
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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