Molecule

ID:25968

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃F₃O₃
Molecular Mass
310.2678296
Exact Mass
310.08167894
Charge
0
InChI
InChI=1S/C16H13F3O3/c1-21-14-7-3-5-12(9-20)15(14)22-10-11-4-2-6-13(8-11)16(17,18)19/h2-9H,10H2,1H3
InChIKey
VQNZSLRIXIXYBD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1cccc(c1)C(F)(F)F)C=O
Isomeric Smiles
C(c1cc(COc2c(C=O)cccc2OC)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9727273
LogD (pH = 7.4)
3.9727273
Log P
3.9727273
Molar Refractivity
76.1547
Polarizability
27.945223
Polar Surface Area
35.53
Rotatable Bonds
6
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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