Molecule

ID:100006

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₁₅O₂
Molecular Mass
454.132248
Exact Mass
454.0050027
Charge
0
InChI
InChI=1S/C11H5F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
InChIKey
DNFFZVPOFBBNHH-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.989983
LogD (pH = 7.4)
5.989983
Log P
5.989983
Molar Refractivity
55.5937
Polarizability
21.391342
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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