Molecule

ID:29782

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃
Molecular Mass
216.2427096
Exact Mass
216.11258514
Charge
0
InChI
InChI=1S/C12H15F3/c1-11(2,3)10-6-4-9(5-7-10)8-12(13,14)15/h4-7H,8H2,1-3H3
InChIKey
STPMICGFHGLCSI-UHFFFAOYSA-N
Canonic Smiles
FC(Cc1ccc(cc1)C(C)(C)C)(F)F
Isomeric Smiles
c1(ccc(cc1)CC(F)(F)F)C(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.666454
LogD (pH = 7.4)
4.666454
Log P
4.666454
Molar Refractivity
55.1494
Polarizability
20.38324
Polar Surface Area
0.0
Rotatable Bonds
3
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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