Molecule

ID:97590

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉O
Molecular Mass
276.0996288
Exact Mass
276.01966876
Charge
0
InChI
InChI=1S/C7H5F9O/c8-4(2-1-3-17,6(11,12)13)5(9,10)7(14,15)16/h1-2,17H,3H2
InChIKey
ICPWRRKQWSNHQB-UHFFFAOYSA-N
Canonic Smiles
OC/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(/C=C/CO)(C(C(F)(F)F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.621537
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8039994
LogD (pH = 7.4)
2.8039994
Log P
2.8039994
Molar Refractivity
38.3081
Polarizability
13.717396
Polar Surface Area
20.23
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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