Molecule

ID:94748

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₆O
Molecular Mass
306.2031392
Exact Mass
306.0479342
Charge
0
InChI
InChI=1S/C14H8F6O/c15-13(16,17)10-7-4-8-11(14(18,19)20)12(10)21-9-5-2-1-3-6-9/h1-8H
InChIKey
OALBRGPXPIBFQA-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1Oc1ccccc1)C(F)(F)F)(F)F
Isomeric Smiles
FC(c1c(c(ccc1)C(F)(F)F)Oc1ccccc1)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.22923
LogD (pH = 7.4)
5.22923
Log P
5.22923
Molar Refractivity
64.2462
Polarizability
23.113186
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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