Molecule

ID:95098

General Information
Structure
Molecular Formula
C₇H₅F₉O₂
Molecular Mass
292.0990288
Exact Mass
292.01458338
Charge
0
InChI
InChI=1S/C7H5F9O2/c1-2-3(17)18-4(5(8,9)10,6(11,12)13)7(14,15)16/h2H2,1H3
InChIKey
QMZWPYNRTTVYRG-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4719086
LogD (pH = 7.4)
3.4719086
Log P
3.4719086
Molar Refractivity
37.9498
Polarizability
14.342907
Polar Surface Area
26.3
Rotatable Bonds
6
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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