Molecule

ID:10335

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₁₃O₂
Molecular Mass
408.1565016
Exact Mass
408.03949639
Charge
0
InChI
InChI=1S/C10H9F13O2/c1-24-4(25-2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
InChIKey
BYPGRUVLTPMKIS-UHFFFAOYSA-N
Canonic Smiles
COC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
Isomeric Smiles
C(C(F)(F)F)(C(C(C(C(CC(OC)OC)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.065364
LogD (pH = 7.4)
5.065364
Log P
5.065364
Molar Refractivity
52.0355
Polarizability
20.264856
Polar Surface Area
18.46
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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