Molecule

ID:32019

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₃
Molecular Mass
174.1629696
Exact Mass
174.06563495
Charge
0
InChI
InChI=1S/C9H9F3/c1-7-4-2-3-5-8(7)6-9(10,11)12/h2-5H,6H2,1H3
InChIKey
METWOZJZQQFALO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CC(F)(F)F
Isomeric Smiles
c1(c(cccc1)CC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6348188
LogD (pH = 7.4)
3.6348188
Log P
3.6348188
Molar Refractivity
41.5247
Polarizability
14.9456625
Polar Surface Area
0.0
Rotatable Bonds
2
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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