Molecule

ID:97909

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃
Molecular Mass
208.6080296
Exact Mass
208.0266626
Charge
0
InChI
InChI=1S/C9H8ClF3/c1-6(9(11,12)13)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKey
BIEMRWJSSKSJEW-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)C(C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.099594
LogD (pH = 7.4)
4.099594
Log P
4.099594
Molar Refractivity
45.9115
Polarizability
16.995016
Polar Surface Area
0.0
Rotatable Bonds
2
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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