Molecule

ID:94653

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉O
Molecular Mass
276.0996288
Exact Mass
276.01966876
Charge
0
InChI
InChI=1S/C7H5F9O/c8-5(9,10)4(6(11,12)13,7(14,15)16)1-3-2-17-3/h3H,1-2H2
InChIKey
AYTYEHSXMRNMKA-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(C(F)(F)F)CC1OC1)(F)F
Isomeric Smiles
O1CC1CC(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)
3.017038
LogD (pH = 7.4)
3.017038
Log P
3.017038
Molar Refractivity
36.4085
Polarizability
13.43412
Polar Surface Area
12.53
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
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Molecule Details
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References
Bioactivity
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