Molecule

ID:9530

General Information
Structure
Molecular Formula
C₁₅H₈F₆O
Molecular Mass
318.2138392
Exact Mass
318.0479342
Charge
0
InChI
InChI=1S/C15H8F6O/c16-14(17,18)11-6-10(7-12(8-11)15(19,20)21)13(22)9-4-2-1-3-5-9/h1-8H
InChIKey
QETSMUIBVUASOJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Isomeric Smiles
c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.188296
LogD (pH = 7.4)
5.188296
Log P
5.188296
Molar Refractivity
68.5809
Polarizability
24.395084
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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