Molecule

ID:94706

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₄O₂
Molecular Mass
286.2216128
Exact Mass
286.06169244
Charge
0
InChI
InChI=1S/C14H10F4O2/c15-13(16,9-1-5-11(19)6-2-9)14(17,18)10-3-7-12(20)8-4-10/h1-8,19-20H
InChIKey
YFWMKHJNNZCGHF-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccc(cc1)O)(F)F)(c1ccc(cc1)O)F
Isomeric Smiles
FC(c1ccc(cc1)O)(F)C(c1ccc(cc1)O)(F)F
Calculated Properties
JChem
Acid pKa
9.120487
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.4145226
LogD (pH = 7.4)
4.4064474
Log P
4.414626
Molar Refractivity
64.492
Polarizability
23.886595
Polar Surface Area
40.46
Rotatable Bonds
3
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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