Molecule

ID:96254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄F₆NO₅P
Molecular Mass
431.3082402
Exact Mass
431.12962882
Charge
0
InChI
InChI=1S/C14H24F6NO5P/c1-6-24-11(22)21-12(13(15,16)17,14(18,19)20)27(23,25-7-9(2)3)26-8-10(4)5/h9-10H,6-8H2,1-5H3,(H,21,22)
InChIKey
VNGFAWSISVJGAU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(P(=O)(OCC(C)C)OCC(C)C)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
P(=O)(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)(OCC(C)C)OCC(C)C
Calculated Properties
JChem
Acid pKa
8.051473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.103719
LogD (pH = 7.4)
5.025632
Log P
5.104832
Molar Refractivity
83.5136
Polarizability
32.423626
Polar Surface Area
73.86
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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