Molecule

ID:96486

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈F₆O₃
Molecular Mass
350.2126392
Exact Mass
350.03776344
Charge
0
InChI
InChI=1S/C15H8F6O3/c16-14(17,18)23-10-7-5-9(6-8-10)13(22)11-3-1-2-4-12(11)24-15(19,20)21/h1-8H
InChIKey
FAVOOMHIXPIGGS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OC(F)(F)F)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(c1c(cccc1)C(=O)c1ccc(cc1)OC(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.294822
LogD (pH = 7.4)
6.294822
Log P
6.294822
Molar Refractivity
62.7741
Polarizability
25.998556
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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