Molecule

ID:66110

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅F₃
Molecular Mass
228.2534096
Exact Mass
228.11258514
Charge
0
InChI
InChI=1S/C13H15F3/c14-13(15,16)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2
InChIKey
ARLVCTCWZLGJGD-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccccc1)C1CCCC1)(F)F
Isomeric Smiles
c1(ccccc1)C(C(F)(F)F)C1CCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6525483
LogD (pH = 7.4)
4.6525483
Log P
4.6525483
Molar Refractivity
57.6561
Polarizability
21.572485
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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