Molecule

ID:31018

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₂O₃
Molecular Mass
216.1814064
Exact Mass
216.05980062
Charge
0
InChI
InChI=1S/C10H10F2O3/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-6,10H,2H2,1H3
InChIKey
GYRYHZYEFPCQIZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(F)F
Isomeric Smiles
c1(OC(F)F)c(cc(C=O)cc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.653972
LogD (pH = 7.4)
2.653972
Log P
2.653972
Molar Refractivity
50.3259
Polarizability
18.700548
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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