Molecule

ID:56975

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClF₃O₃
Molecular Mass
358.7394696
Exact Mass
358.05835665
Charge
0
InChI
InChI=1S/C17H14ClF3O3/c1-2-23-15-9-12(16(18)22)6-7-14(15)24-10-11-4-3-5-13(8-11)17(19,20)21/h3-9H,2,10H2,1H3
InChIKey
KRBRPWFTMAHSBF-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1cccc(c1)C(F)(F)F)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1cccc(c1)C(F)(F)F)OCC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8079453
LogD (pH = 7.4)
4.8079453
Log P
4.8079453
Molar Refractivity
85.434
Polarizability
31.703545
Polar Surface Area
35.53
Rotatable Bonds
7
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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