Molecule

ID:95105

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₆O₂
Molecular Mass
286.1704392
Exact Mass
286.04284882
Charge
0
InChI
InChI=1S/C11H8F6O2/c12-10(13,14)9(19,11(15,16)17)6-8(18)7-4-2-1-3-5-7/h1-5,19H,6H2
InChIKey
VRLJBWKYHRJXGK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
O=C(c1ccccc1)CC(C(F)(F)F)(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
1.6568265
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2574422
LogD (pH = 7.4)
-0.5659102
Log P
2.8443863
Molar Refractivity
53.3224
Polarizability
19.419737
Polar Surface Area
37.3
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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