Molecule

ID:96670

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₈O₂
Molecular Mass
274.1085656
Exact Mass
274.02400519
Charge
0
InChI
InChI=1S/C7H6F8O2/c1-2-17-4(16)6(12,13)7(14,15)5(10,11)3(8)9/h3H,2H2,1H3
InChIKey
HXWMNJVBQLBDGW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(C(C(F)(F)C(F)F)(F)F)(F)F)CC
Calculated Properties
JChem
Acid pKa
19.780851
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0248525
LogD (pH = 7.4)
3.0248525
Log P
3.0248525
Molar Refractivity
36.2859
Polarizability
14.203426
Polar Surface Area
26.3
Rotatable Bonds
6
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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