Molecule

ID:43460

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClF₃O₃
Molecular Mass
306.6649096
Exact Mass
306.02705652
Charge
0
InChI
InChI=1S/C13H10ClF3O3/c1-2-19-12(18)9-6-7-5-8(14)3-4-10(7)20-11(9)13(15,16)17/h3-6,11H,2H2,1H3
InChIKey
YNUXNUIXJWXLAJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=Cc2cc(Cl)ccc2OC1C(F)(F)F
Isomeric Smiles
C1(=Cc2c(OC1C(F)(F)F)ccc(c2)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9667146
LogD (pH = 7.4)
3.9667146
Log P
3.9667146
Molar Refractivity
66.8364
Polarizability
25.117493
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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