Molecule

ID:29956

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃
Molecular Mass
216.2427096
Exact Mass
216.11258514
Charge
0
InChI
InChI=1S/C12H15F3/c1-9(2)11-5-3-10(4-6-11)7-8-12(13,14)15/h3-6,9H,7-8H2,1-2H3
InChIKey
WPPSHGCIWDODJG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CCC(F)(F)F)C
Isomeric Smiles
c1(ccc(cc1)CCC(F)(F)F)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.810975
LogD (pH = 7.4)
4.810975
Log P
4.810975
Molar Refractivity
55.2753
Polarizability
20.389462
Polar Surface Area
0.0
Rotatable Bonds
4
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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