Molecule

ID:29785

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃
Molecular Mass
188.1895496
Exact Mass
188.08128501
Charge
0
InChI
InChI=1S/C10H11F3/c1-7(2)10(12,13)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
ONXMNXDJNYBQSU-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1ccc(cc1)F)(F)F)C
Isomeric Smiles
c1(ccc(cc1)F)C(C(C)C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8692951
LogD (pH = 7.4)
3.8692951
Log P
3.8692951
Molar Refractivity
45.2654
Polarizability
16.850615
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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