Molecule

ID:9820

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₆O
Molecular Mass
320.2297192
Exact Mass
320.06358426
Charge
0
InChI
InChI=1S/C15H10F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8,13,22H
InChIKey
WWKAKFGJTVATRV-UHFFFAOYSA-N
Canonic Smiles
OC(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Isomeric Smiles
OC(c1cc(ccc1)C(F)(F)F)c1cccc(c1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.589481
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7458334
LogD (pH = 7.4)
4.745833
Log P
4.7458334
Molar Refractivity
69.1041
Polarizability
24.78502
Polar Surface Area
20.23
Rotatable Bonds
4
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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