Molecule

ID:7266

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₁₃O₂
Molecular Mass
434.1937816
Exact Mass
434.05514645
Charge
0
InChI
InChI=1S/C12H11F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5H,3-4H2,1-2H3
InChIKey
VEAHUEAEPJJBDN-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
Isomeric Smiles
FC(C(C(C(C(C(CCOC(=O)C(C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.8946834
LogD (pH = 7.4)
5.8946834
Log P
5.8946834
Molar Refractivity
59.8561
Polarizability
23.031603
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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