Molecule

ID:26044

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃F₃O₃
Molecular Mass
310.2678296
Exact Mass
310.08167894
Charge
0
InChI
InChI=1S/C16H13F3O3/c1-21-14-6-5-11(9-20)8-15(14)22-10-12-3-2-4-13(7-12)16(17,18)19/h2-9H,10H2,1H3
InChIKey
XOTVUZQWWQLZDX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)OCc1cccc(c1)C(F)(F)F)OC
Isomeric Smiles
C(c1cc(COc2c(ccc(c2)C=O)OC)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
27.94288
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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