Molecule

ID:25838

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉F₅O₃
Molecular Mass
332.222176
Exact Mass
332.04718525
Charge
0
InChI
InChI=1S/C15H9F5O3/c1-22-9-3-2-7(5-21)4-8(9)6-23-15-13(19)11(17)10(16)12(18)14(15)20/h2-5H,6H2,1H3
InChIKey
CKMVTIRWAOEGMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1c(F)c(F)c(c(c1F)F)F)C=O
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OCc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8083885
LogD (pH = 7.4)
3.8083885
Log P
3.8083885
Molar Refractivity
71.263
Polarizability
25.748434
Polar Surface Area
35.53
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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