Molecule

ID:6536

General Information
Structure
Molecular Formula
C₁₁H₁₀F₆O₄
Molecular Mass
320.1851192
Exact Mass
320.04832812
Charge
0
InChI
InChI=1S/C11H10F6O4/c1-3-7(18)20-5-9(12,13)11(16,17)10(14,15)6-21-8(19)4-2/h3-4H,1-2,5-6H2
InChIKey
DOZNAYNLYNBXKE-UHFFFAOYSA-N
Canonic Smiles
C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)C=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7547526
LogD (pH = 7.4)
3.7547526
Log P
3.7547526
Molar Refractivity
56.156
Polarizability
21.465136
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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