Molecule

ID:66068

General Information
Structure
Molecular Formula
C₁₂H₁₅F₃
Molecular Mass
216.2427096
Exact Mass
216.11258514
Charge
0
InChI
InChI=1S/C12H15F3/c1-2-3-4-5-10-6-8-11(9-7-10)12(13,14)15/h6-9H,2-5H2,1H3
InChIKey
BDAHBUDJCWRIOJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1)C(F)(F)F)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.1427903
LogD (pH = 7.4)
5.1427903
Log P
5.1427903
Molar Refractivity
55.4769
Polarizability
20.44787
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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