Molecule

ID:95101

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₉O₂
Molecular Mass
320.1521888
Exact Mass
320.04588351
Charge
0
InChI
InChI=1S/C9H9F9O2/c1-3-4(2)5(19)20-6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3
InChIKey
RIDIMSPDBDWFDY-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C
Isomeric Smiles
O(C(=O)C(CC)C)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4594636
LogD (pH = 7.4)
4.4594636
Log P
4.4594636
Molar Refractivity
47.1253
Polarizability
17.645428
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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