Molecule

ID:32041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃
Molecular Mass
188.1895496
Exact Mass
188.08128501
Charge
0
InChI
InChI=1S/C10H11F3/c1-8-3-2-4-9(7-8)5-6-10(11,12)13/h2-4,7H,5-6H2,1H3
InChIKey
XGKAIPDEIOSEFJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CCC(F)(F)F
Isomeric Smiles
c1(cc(ccc1)CCC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0793877
LogD (pH = 7.4)
4.0793877
Log P
4.0793877
Molar Refractivity
46.1257
Polarizability
16.75888
Polar Surface Area
0.0
Rotatable Bonds
3
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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