Molecule

ID:99987

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₄O₂
Molecular Mass
250.1895128
Exact Mass
250.06169244
Charge
0
InChI
InChI=1S/C11H10F4O2/c1-2-17-10(16)5-7-3-4-8(6-9(7)12)11(13,14)15/h3-4,6H,2,5H2,1H3
InChIKey
MJXFXKXUCHALKY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1F)C(F)(F)F
Isomeric Smiles
O(CC)C(=O)Cc1c(cc(cc1)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1342466
LogD (pH = 7.4)
3.1342466
Log P
3.1342466
Molar Refractivity
53.0734
Polarizability
19.511614
Polar Surface Area
26.3
Rotatable Bonds
5
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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