Molecule

ID:98433

General Information
Structure
Molecular Formula
C₁₁H₇F₅O₂
Molecular Mass
266.164096
Exact Mass
266.03662056
Charge
0
InChI
InChI=1S/C11H7F5O2/c1-4(2)11(17)18-3-5-6(12)8(14)10(16)9(15)7(5)13/h1,3H2,2H3
InChIKey
DSESELHEBRQXBA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)F)F)F)COC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.745708
LogD (pH = 7.4)
3.745708
Log P
3.745708
Molar Refractivity
52.1122
Polarizability
19.084436
Polar Surface Area
26.3
Rotatable Bonds
4
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
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References
Bioactivity
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